Diazanaphthalenes
Endophenazine A, TRC
CAS: 86125-71-5 Molecular Formula: C18H16N2O2 Molecular Weight (g/mol): 292.33 Synonym: 9-(3-Methyl-2-buten-1-yl)-1-phenazinecarboxylic Acid,9-(3-Methyl-2-butenyl)-1-phenazinecarboxylic Acid IUPAC Name: 9-(3-methylbut-2-enyl)phenazine-1-carboxylic acid SMILES: CC(=CCc1cccc2nc3cccc(C(=O)O)c3nc12)C
Fenquinotrione, TRC
CAS: 1342891-70-6 Molecular Formula: C22 H17 Cl N2 O5 Molecular Weight (g/mol): 424.8338 Synonym: 1,3-Cyclohexanedione, 2-[[8-chloro-3,4-dihydro-4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]carbonyl]-,Fenquinotrione IUPAC Name: 2-[8-chloro-4-(4-methoxyphenyl)-3-oxoquinoxaline-2-carbonyl]cyclohexane-1,3-dione SMILES: COc1ccc(cc1)N2C(=O)C(=Nc3c(Cl)cccc23)C(=O)C4C(=O)CCCC4=O
CGS-12066A Maleate Salt, TRC
CAS: 1350965-83-1 Molecular Formula: C17H17F3N4 . C4H4O4 Molecular Weight (g/mol): 450.4 Synonym: CGS-12066A Maleate Salt,4-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)-pyrrolo[1,2-a]quinoxaline (2Z)-2-Butenedioate IUPAC Name: (Z)-but-2-enedioic acid;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline SMILES: CN1CCN(CC1)c2nc3cc(ccc3n4cccc24)C(F)(F)F.OC(=O)\C=C/C(=O)O
Bunazosin Hydrochloride, TRC
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Dacomitinib, TRC
CAS: 1110813-31-4 Molecular Formula: C24 H25 Cl F N5 O2 Molecular Weight (g/mol): 469.94 IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4
6-Cyano-7-nitroquinoxaline-2,3-dione, TRC
CAS: 115066-14-3 Molecular Formula: C9 H4 N4 O4 Molecular Weight (g/mol): 232.15 IUPAC Name: 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile SMILES: [O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N
6-Nitro-4-quinazolone, TRC
CAS: 6943-17-5 Molecular Formula: C8H5N3O3 Molecular Weight (g/mol): 191.14 Synonym: 6-Nitro-3H-quinazolin-4-one,6-Nitro-4(1H)-quinazolinone,6-Nitroquinazolin-4-ol,6-Nitro-3,4-dihydroquinazolin-4-one,NSC 51669 IUPAC Name: 6-nitro-1H-quinazolin-4-one SMILES: [O-][N+](=O)c1ccc2NC=NC(=O)c2c1
3-Deschloro-4-desfluoro-4-chloro-3-fluoro Gefitinib, TRC
CAS: 1603814-04-5 Molecular Formula: C22 H24 Cl F N4 O3 Molecular Weight (g/mol): 446.9 Synonym: 4-Quinazolinamine, N-(4-chloro-3-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-,Gefitinib Imp. B (EP),N-(4-Chloro-3-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine,N-(4-Chloro-3-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine,3-Deschloro-4-desfluoro-4-chloro-3-fluoro Gefitinib IUPAC Name: N-(4-chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine SMILES: COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCCN4CCOCC4
Fenquizone, TRC
CAS: 20287-37-0 Molecular Formula: C14 H12 Cl N3 O3 S Molecular Weight (g/mol): 337.78 Synonym: 7-Chloro-1,2,3,4-tetrahydro-4-oxo-2-phenyl-6-quinazolinesulfonamide; IUPAC Name: 1-(3-Bromo-4-fluorophenyl)propan-1-one SMILES: NS(=O)(=O)c1cc2C(=O)NC(Nc2cc1Cl)c3ccccc3
2-Amino-3-methyl-3H-imidazo[4,5-f]quinoxaline, TRC
CAS: 108354-47-8 Molecular Formula: C10 H9 N5 Molecular Weight (g/mol): 199.21 Synonym: 3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine,3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3-Methylimidazo[4,5-f]quinoxaline,3-Methylimidazo[4,5-f]quinoxalin-2-amine IUPAC Name: 3-methylimidazo[4,5-f]quinoxalin-2-amine SMILES: Cn1c(N)nc2c3nccnc3ccc12
N2-Methyl Alfuzosin, TRC
CAS: 72104-34-8 Molecular Formula: C19 H27 N5 O4 . Cl H Molecular Weight (g/mol): 425.91 Synonym: Alfuzosin Hydrochloride Imp. C (EP) as Hydrochloride,(2RS)-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyltetrahydrofuran-2-carboxamide Hydrochloride IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride SMILES: Cl.COc1cc2nc(NCCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC
4-Hydroxycarbazeran, TRC
CAS: 96724-43-5 Molecular Formula: C18H24N4O5 Molecular Weight (g/mol): 376.41 Synonym: 1-(3,4-Dihydro-6,7-dimethoxy-4-oxo-1-phthalazinyl)-4-piperidinyl Ester Ethylcarbamic Acid IUPAC Name: 1-(6,7-dimethoxy-4-oxo-3,4-dihydrophthalazin-1-yl)piperidin-4-yl ethylcarbamate SMILES: CCNC(=O)OC1CCN(CC1)C2=NNC(=O)C3=CC(=C(C=C32)OC)OC
Metolazone, TRC
CAS: 17560-51-9 Molecular Formula: C16 H16 Cl N3 O3 S Molecular Weight (g/mol): 365.83 Synonym: Metolazone,(2RS)-7-Chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide,6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo- (9CI, ACI),6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-4-oxo-3-o-tolyl- (8CI),7-Chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-6-quinazolinesulfonamide (ACI),2-Methyl-3-(o-tolyl)-6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone,7-Chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide,Diulo,MeSH ID: D008788,Metazoline,Metenix,Metozalone,Mykrox,Normelan,Oldren,SR 720-22,Xuret,Zaroxolyn IUPAC Name: 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide SMILES: CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N
O-Desmorpholinopropyl-O-methyl-gefitinib, TRC
CAS: 153437-78-6 Molecular Formula: C16H13ClFN3O2 Molecular Weight (g/mol): 333.74 Synonym: 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxy-4-quinazolinamine,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC