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

Systemtic Name: N-(cyanomethyl)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-phenyl-acetamide Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S2/c1-12-13(2)27-19-17(12)18(25)21-15(22-19)10-26-11-16(24)23(9-8-20)14-6-4-3-5-7-14/h3-7H,9-11H2,1-2H3,(H,21,22,25)