3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1-(4-fluoranyl-3-nitro-phenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1-(4-fluoranyl-3-nitro-phenyl)pyrrolidine-2,5-dione Openeye Name: 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(4-fluoro-3-nitro-phenyl)pyrrolidine-2,5-dione CAS Name: 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: 3-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-1-(4-fluoro-3-nitro-phenyl)pyrrolidine-2,5-quinone Formula: C16H13FN4O6S MolecularWeight: 408.361023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)[N+](=O)[O-])O

InChI

InChI=1S/C16H13FN4O6S/c1-2-8-13(23)18-16(19-14(8)24)28-11-6-12(22)20(15(11)25)7-3-4-9(17)10(5-7)21(26)27/h3-5,11H,2,6H2,1H3,(H2,18,19,23,24)