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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]pyrrolidine-2,5-quinone Formula: C16H13ClFN3O4S MolecularWeight: 397.808523

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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)Cl)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)O

InChI

InChI=1S/C16H13ClFN3O4S/c1-2-8-13(23)19-16(20-14(8)24)26-11-6-12(22)21(15(11)25)7-3-4-10(18)9(17)5-7/h3-5,11H,2,6H2,1H3,(H2,19,20,23,24)