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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: N-(2-fluoro-5-nitro-phenyl)-2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C16H13FN4O4S MolecularWeight: 376.362223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN4O4S/c1-8-9(2)26-15-14(8)16(23)20(7-18-15)6-13(22)19-12-5-10(21(24)25)3-4-11(12)17/h3-5,7H,6H2,1-2H3,(H,19,22)