5-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)pentanamide

Systemtic Name: 5-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)pentanamide Openeye Name: 5-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)pentanamide CAS Name: 5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyridinylmethyl)pentanamide IUPAC Name: 5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)pentanamide Traditional Name: 5-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)valeramide Formula: C23H28N4O4S MolecularWeight: 456.55782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCCC(=O)NCC3=CC=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCCC(=O)NCC3=CC=CC=N3)OCC

InChI

InChI=1S/C23H28N4O4S/c1-3-30-19-13-17-18(14-20(19)31-4-2)26-23(32)27(22(17)29)12-8-6-10-21(28)25-15-16-9-5-7-11-24-16/h5,7,9,11,13-14H,3-4,6,8,10,12,15H2,1-2H3,(H,25,28)(H,26,32)