[5-ethyl-2-ethylsulfanyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-ethyl-2-ethylsulfanyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [5-ethyl-2-ethylsulfanyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-ethyl-2-(ethylthio)-6-(4-methylphenyl)sulfonyloxy-4-pyrimidinyl] ester IUPAC Name: [5-ethyl-2-ethylsulfanyl-6-(4-methylphenyl)sulfonyloxypyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-ethyl-2-(ethylthio)-6-tosyloxy-pyrimidin-4-yl] ester Formula: C22H24N2O6S3 MolecularWeight: 508.63076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SCC)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SCC)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O6S3/c1-5-19-20(29-32(25,26)17-11-7-15(3)8-12-17)23-22(31-6-2)24-21(19)30-33(27,28)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3