methyl 2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(3-amino-3-oxo-propyl)sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[(3-amino-3-oxopropyl)thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-amino-3-oxopropyl)sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[(3-amino-3-keto-propyl)thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O4S/c1-26-18(25)12-7-8-14-15(11-12)21-19(27-10-9-16(20)23)22(17(14)24)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,20,23)