6-(4-methoxyphenyl)-2-phenacylsulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide

Systemtic Name: 6-(4-methoxyphenyl)-2-phenacylsulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Openeye Name: 6-(4-methoxyphenyl)-2-phenacylsulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide CAS Name: 6-(4-methoxyphenyl)-2-(phenacylthio)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide IUPAC Name: 6-(4-methoxyphenyl)-2-phenacylsulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Traditional Name: 6-(4-methoxyphenyl)-2-(phenacylthio)-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Formula: C25H21BrN2O3S MolecularWeight: 509.41484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O3S.BrH/c1-30-21-14-12-18(13-15-21)22-16-24(29)27(20-10-6-3-7-11-20)25(26-22)31-17-23(28)19-8-4-2-5-9-19;/h2-16H,17H2,1H3;1H