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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O4S2/c1-11-12(2)32-19-18(11)20(28)25(13-5-3-4-6-13)21(24-19)31-10-17(27)23-16-9-14(26(29)30)7-8-15(16)22/h7-9,13H,3-6,10H2,1-2H3,(H,23,27)