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[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate

[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name:[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate
Openeye Name:[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid [2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-methyl-6-(4-methylphenyl)sulfonyloxy-4-pyrimidinyl] ester
IUPAC Name:[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-methyl-6-(4-methylphenyl)sulfonyloxypyrimidin-4-yl] 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid [2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5-methyl-6-tosyloxy-pyrimidin-4-yl] ester
Formula: C27H23ClN2O7S3
MolecularWeight: 619.12872
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C)C


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C)C


InChI

InChI=1S/C27H23ClN2O7S3/c1-17-4-12-22(13-5-17)39(32,33)36-25-19(3)26(37-40(34,35)23-14-6-18(2)7-15-23)30-27(29-25)38-16-24(31)20-8-10-21(28)11-9-20/h4-15H,16H2,1-3H3


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