methyl 3-(2-aminophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-aminophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-aminophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2-aminophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-aminophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(2-aminophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3N

InChI

InChI=1S/C16H13N3O3S/c1-22-15(21)9-6-7-10-12(8-9)18-16(23)19(14(10)20)13-5-3-2-4-11(13)17/h2-8H,17H2,1H3,(H,18,23)