3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-homoveratryl-4-keto-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H24N4O4S MolecularWeight: 476.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S)OC

InChI

InChI=1S/C25H24N4O4S/c1-32-21-8-5-16(12-22(21)33-2)9-11-29-24(31)19-7-6-18(13-20(19)28-25(29)34)23(30)27-15-17-4-3-10-26-14-17/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,27,30)(H,28,34)