2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-(cyanomethylthio)-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-(cyanomethylthio)-N-(3,5-dimethylphenyl)-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H24N4O2S2 MolecularWeight: 488.62436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC#N)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC#N)C)C

InChI

InChI=1S/C26H24N4O2S2/c1-16-13-17(2)15-20(14-16)28-23(31)22-18(3)21-24(34-22)29-26(33-12-10-27)30(25(21)32)11-9-19-7-5-4-6-8-19/h4-8,13-15H,9,11-12H2,1-3H3,(H,28,31)