Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.

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Xanthine, 98%

CAS: 69-89-6 Molecular Formula: C₅H₄N₄O₂ Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

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PubChem CID	1188
CAS	69-89-6
Molecular Weight (g/mol)	152.11
ChEBI	CHEBI:17712
MDL Number	MFCD00078453
SMILES	C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym	xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
IUPAC Name	3,7-dihydropurine-2,6-dione
InChI Key	LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula	C₅H₄N₄O₂

Caffeine, citrated

CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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PubChem CID	6241
CAS	69-22-7
Molecular Weight (g/mol)	386.32
MDL Number	MFCD00044986
SMILES	OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938
IUPAC Name	2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
InChI Key	RCQXSQPPHJPGOF-UHFFFAOYSA-N
Molecular Formula	C14H18N4O9

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1-Methyladenine, 95%, Thermo Scientific Chemicals

CAS: 5142-22-3 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010532 InChI Key: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonym: 1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine PubChem CID: 78821 ChEBI: CHEBI:18083 IUPAC Name: 1-methylpurin-6-amine SMILES: CN1C=NC2=NC=NC2=C1N

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PubChem CID	78821
CAS	5142-22-3
Molecular Weight (g/mol)	149.16
ChEBI	CHEBI:18083
MDL Number	MFCD00010532
SMILES	CN1C=NC2=NC=NC2=C1N
Synonym	1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine
IUPAC Name	1-methylpurin-6-amine
InChI Key	HPZMWTNATZPBIH-UHFFFAOYSA-N
Molecular Formula	C6H7N5

2-Fluoroadenine, 97%

CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 MDL Number: MFCD01632749 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(F)=N1

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PubChem CID	12790
CAS	700-49-2
Molecular Weight (g/mol)	153.12
ChEBI	CHEBI:72457
MDL Number	MFCD01632749
SMILES	NC1=C2NC=NC2=NC(F)=N1
Synonym	2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro
IUPAC Name	2-fluoro-7H-purin-6-amine
InChI Key	WKMPTBDYDNUJLF-UHFFFAOYSA-N
Molecular Formula	C5H4FN5

9-Methyladenine, 98%, Thermo Scientific Chemicals

CAS: 700-00-5 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00047232 InChI Key: WRXCXOUDSPTXNX-UHFFFAOYSA-N Synonym: 9-methyladenine,9-methyl-9h-purin-6-amine,n9-methyladenine,9-methyl-9h-adenine,6-amino-9-methylpurine,9h-purin-6-amine, 9-methyl,adenine, 9-methyl,9-methyl-9h-purin-6-ylamine,ccris 6905,chembl65976 PubChem CID: 69689 ChEBI: CHEBI:40526 IUPAC Name: 9-methylpurin-6-amine SMILES: CN1C=NC2=C(N)N=CN=C12

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PubChem CID	69689
CAS	700-00-5
Molecular Weight (g/mol)	149.16
ChEBI	CHEBI:40526
MDL Number	MFCD00047232
SMILES	CN1C=NC2=C(N)N=CN=C12
Synonym	9-methyladenine,9-methyl-9h-purin-6-amine,n9-methyladenine,9-methyl-9h-adenine,6-amino-9-methylpurine,9h-purin-6-amine, 9-methyl,adenine, 9-methyl,9-methyl-9h-purin-6-ylamine,ccris 6905,chembl65976
IUPAC Name	9-methylpurin-6-amine
InChI Key	WRXCXOUDSPTXNX-UHFFFAOYSA-N
Molecular Formula	C6H7N5

Thermo Scientific Chemicals Adenine sulfate, 98%, synthetic

CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: 7H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

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Specifications

PubChem CID	9449
CAS	321-30-2
Molecular Weight (g/mol)	368.33
MDL Number	MFCD00213655
SMILES	OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym	adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m
IUPAC Name	7H-purin-6-amine;sulfuric acid
InChI Key	LQXHSCOPYJCOMD-UHFFFAOYSA-N
Molecular Formula	C10H12N10O4S

Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

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Specifications

PubChem CID	190
CAS	73-24-5
Molecular Weight (g/mol)	135.13
ChEBI	CHEBI:16708
MDL Number	MFCD00041790
SMILES	NC1=C2NC=NC2=NC=N1
Synonym	adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name	7H-purin-6-amine
InChI Key	GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula	C5H5N5

Thermo Scientific Chemicals 3-Methyladenine, 90+%

CAS: 5142-23-4 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010531 InChI Key: FSASIHFSFGAIJM-UHFFFAOYSA-N Synonym: 3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma PubChem CID: 1673 ChEBI: CHEBI:38635 SMILES: CN1C=NC(N)=C2N=CN=C12

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PubChem CID	1673
CAS	5142-23-4
Molecular Weight (g/mol)	149.16
ChEBI	CHEBI:38635
MDL Number	MFCD00010531
SMILES	CN1C=NC(N)=C2N=CN=C12
Synonym	3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma
InChI Key	FSASIHFSFGAIJM-UHFFFAOYSA-N
Molecular Formula	C6H7N5

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2-Hydroxy-6-aminopurine, 98%

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PubChem CID	190
CAS	73-24-5
Molecular Weight (g/mol)	135.13
ChEBI	CHEBI:16708
MDL Number	MFCD00041790
SMILES	NC1=C2NC=NC2=NC=N1
Synonym	adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name	7H-purin-6-amine
InChI Key	GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula	C5H5N5

2-Amino-6-purinethiol, 95%, ACROS Organics™

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 IUPAC Name: 2-amino-6,7-dihydro-3H-purine-6-thione SMILES: NC1=NC(=S)C2=C(N1)N=CN2

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PubChem CID	2723601
CAS	154-42-7
Molecular Weight (g/mol)	167.19
ChEBI	CHEBI:9555
MDL Number	MFCD00233553
SMILES	NC1=NC(=S)C2=C(N1)N=CN2
Synonym	6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol
IUPAC Name	2-amino-6,7-dihydro-3H-purine-6-thione
InChI Key	WYWHKKSPHMUBEB-UHFFFAOYSA-N
Molecular Formula	C5H5N5S

Imidazopyrimidines

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