N-(2-cyanoethyl)-2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(5-cyclopropyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-methyl-acetamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=C(C(=CS2)C3CC3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=C(C(=CS2)C3CC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S2/c1-24(11-5-10-22)17(26)13-29-21-23-19-18(16(12-28-19)14-8-9-14)20(27)25(21)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-9,11,13H2,1H3