3-(4-methoxyphenyl)-4-oxidanylidene-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4-methoxyphenyl)-4-oxo-N-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-(3-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(4-methoxyphenyl)-N-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CN=CC=C4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CN=CC=C4)NC2=S

InChI

InChI=1S/C21H16N4O3S/c1-28-16-7-5-15(6-8-16)25-20(27)17-9-4-13(11-18(17)24-21(25)29)19(26)23-14-3-2-10-22-12-14/h2-12H,1H3,(H,23,26)(H,24,29)