N-(2-cyano-3-methyl-butan-2-yl)-2-[5-(4-fluorophenyl)-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[5-(4-fluorophenyl)-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-benzyl-5-(4-fluorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-fluorophenyl)-4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[3-benzyl-5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[[3-benzyl-5-(4-fluorophenyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C27H25FN4O2S2 MolecularWeight: 520.641403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C27H25FN4O2S2/c1-17(2)27(3,16-29)31-22(33)15-36-26-30-24-23(21(14-35-24)19-9-11-20(28)12-10-19)25(34)32(26)13-18-7-5-4-6-8-18/h4-12,14,17H,13,15H2,1-3H3,(H,31,33)