3-(2,5-dimethoxyphenyl)-4-oxidanylidene-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-oxidanylidene-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(3-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-4-oxo-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,5-dimethoxyphenyl)-4-keto-N-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c1-29-15-6-8-19(30-2)18(11-15)26-21(28)16-7-5-13(10-17(16)25-22(26)31)20(27)24-14-4-3-9-23-12-14/h3-12H,1-2H3,(H,24,27)(H,25,31)