N-(2-cyanoethyl)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-phenyl-acetamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)N(CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)N(CCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O2S2/c1-13-14(2)28-20-18(13)19(26)22-16(23-20)11-27-12-17(25)24(10-6-9-21)15-7-4-3-5-8-15/h3-5,7-8H,6,10-12H2,1-2H3,(H,22,23,26)