ethyl 4-(3-aminophenyl)-5-azanyl-2-methylsulfanyl-quinazoline-6-carboxylate

Systemtic Name: ethyl 4-(3-aminophenyl)-5-azanyl-2-methylsulfanyl-quinazoline-6-carboxylate Openeye Name: ethyl 5-amino-4-(3-aminophenyl)-2-methylsulfanyl-quinazoline-6-carboxylate CAS Name: 5-amino-4-(3-aminophenyl)-2-(methylthio)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(3-aminophenyl)-2-methylsulfanylquinazoline-6-carboxylate Traditional Name: 5-amino-4-(3-aminophenyl)-2-(methylthio)quinazoline-6-carboxylic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1)N=C(N=C2C3=CC(=CC=C3)N)SC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1)N=C(N=C2C3=CC(=CC=C3)N)SC)N

InChI

InChI=1S/C18H18N4O2S/c1-3-24-17(23)12-7-8-13-14(15(12)20)16(22-18(21-13)25-2)10-5-4-6-11(19)9-10/h4-9H,3,19-20H2,1-2H3