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

Systemtic Name: methyl 4-oxidanylidene-3-(pyridin-3-ylcarbonylamino)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-(pyridine-3-carbonylamino)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[oxo(3-pyridinyl)methyl]amino]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-nicotinamido-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O4S/c1-24-15(23)9-4-5-11-12(7-9)18-16(25)20(14(11)22)19-13(21)10-3-2-6-17-8-10/h2-8H,1H3,(H,18,25)(H,19,21)