2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)N(CC#N)C3=CC=CC=C3)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)N(CC#N)C3=CC=CC=C3)SC(=C2C)C

InChI

InChI=1S/C22H24N4O2S2/c1-4-5-12-26-21(28)19-15(2)16(3)30-20(19)24-22(26)29-14-18(27)25(13-11-23)17-9-7-6-8-10-17/h6-10H,4-5,12-14H2,1-3H3