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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(2-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-homoveratryl-4-keto-N-(2-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=CC=CC=N4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)NC2=S)OC

InChI

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