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

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C17H15FN4O4S MolecularWeight: 390.388803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN4O4S/c1-9-10(2)27-16-15(9)17(24)21(8-19-16)6-5-14(23)20-11-3-4-12(18)13(7-11)22(25)26/h3-4,7-8H,5-6H2,1-2H3,(H,20,23)