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

Systemtic Name: 2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C22H23FN4O4S2 MolecularWeight: 490.570823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O4S2/c1-11-12(2)32-20-18(11)21(29)26(15-6-4-5-7-15)22(25-20)33-13(3)19(28)24-14-8-9-16(23)17(10-14)27(30)31/h8-10,13,15H,4-7H2,1-3H3,(H,24,28)