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

Systemtic Name: 3-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrolidine-2,5-dione Openeye Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluoro-phenyl)pyrrolidine-2,5-dione CAS Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione Traditional Name: 3-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-1-(3-chloro-4-fluoro-phenyl)pyrrolidine-2,5-quinone Formula: C18H17ClFN3O4S MolecularWeight: 425.861683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)O

InChI

InChI=1S/C18H17ClFN3O4S/c1-2-3-4-10-15(25)21-18(22-16(10)26)28-13-8-14(24)23(17(13)27)9-5-6-12(20)11(19)7-9/h5-7,13H,2-4,8H2,1H3,(H2,21,22,25,26)