2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(3-methoxy-4-oxidanyl-phenyl)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(3-methoxy-4-oxidanyl-phenyl)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-6-(4-hydroxy-3-methoxy-phenyl)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide CAS Name: 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-6-(4-hydroxy-3-methoxyphenyl)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-(4-hydroxy-3-methoxyphenyl)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Traditional Name: 2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-6-(4-hydroxy-3-methoxy-phenyl)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Formula: C25H20BrFN2O4S MolecularWeight: 543.404703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=O)[N+](=C(N2)SCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=O)[N+](=C(N2)SCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C25H19FN2O4S.BrH/c1-32-23-13-17(9-12-21(23)29)20-14-24(31)28(19-5-3-2-4-6-19)25(27-20)33-15-22(30)16-7-10-18(26)11-8-16;/h2-14H,15H2,1H3,(H,29,31);1H