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

Systemtic Name: methyl 4-oxidanylidene-3-(pyridin-4-ylcarbonylamino)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-(pyridine-4-carbonylamino)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[oxo(pyridin-4-yl)methyl]amino]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(pyridine-4-carbonylamino)-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-isonicotinamido-4-keto-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=CC=NC=C3

Isomeric SMILES

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

InChI

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