6-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Openeye Name: 6-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide CAS Name: 6-(3,4-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-phenyl-1H-pyrimidin-3-ium-4-one bromide IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Traditional Name: 6-(3,4-dimethoxyphenyl)-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3-phenyl-1H-pyrimidin-3-ium-4-one bromide Formula: C27H25BrN2O5S MolecularWeight: 569.4668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=[N+](C(=O)C=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=[N+](C(=O)C=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H24N2O5S.BrH/c1-32-21-12-9-18(10-13-21)23(30)17-35-27-28-22(19-11-14-24(33-2)25(15-19)34-3)16-26(31)29(27)20-7-5-4-6-8-20;/h4-16H,17H2,1-3H3;1H