1-(4-fluorophenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione

Systemtic Name: 1-(4-fluorophenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 1-(4-fluorophenyl)-3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 1-(4-fluorophenyl)-3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(4-fluorophenyl)-3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 1-(4-fluorophenyl)-3-[(4-hydroxy-6-keto-5-propyl-1H-pyrimidin-2-yl)thio]pyrrolidine-2,5-quinone Formula: C17H16FN3O4S MolecularWeight: 377.390043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C17H16FN3O4S/c1-2-3-11-14(23)19-17(20-15(11)24)26-12-8-13(22)21(16(12)25)10-6-4-9(18)5-7-10/h4-7,12H,2-3,8H2,1H3,(H2,19,20,23,24)