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

Systemtic Name: N-(cyanomethyl)-N-phenyl-2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(cyanomethyl)-N-phenyl-2-(3,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(cyanomethyl)-N-phenyl-2-[(3,5,6-trimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(cyanomethyl)-N-phenyl-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(cyanomethyl)-2-[(4-keto-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C19H18N4O2S2 MolecularWeight: 398.50182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(CC#N)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(CC#N)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H18N4O2S2/c1-12-13(2)27-17-16(12)18(25)22(3)19(21-17)26-11-15(24)23(10-9-20)14-7-5-4-6-8-14/h4-8H,10-11H2,1-3H3