2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C21H21FN4O4S2 MolecularWeight: 476.544243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4CCCC4)C

InChI

InChI=1S/C21H21FN4O4S2/c1-11-12(2)32-19-18(11)20(28)25(14-5-3-4-6-14)21(24-19)31-10-17(27)23-13-7-8-15(22)16(9-13)26(29)30/h7-9,14H,3-6,10H2,1-2H3,(H,23,27)