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

Systemtic Name: [5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-(phenylmethylsulfanyl)pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-benzylsulfanyl-5-ethyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-(phenylmethylthio)-4-pyrimidinyl] ester IUPAC Name: [2-benzylsulfanyl-5-ethyl-6-(4-methylphenyl)sulfonyloxypyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(benzylthio)-5-ethyl-6-tosyloxy-pyrimidin-4-yl] ester Formula: C27H26N2O6S3 MolecularWeight: 570.70014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SCC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SCC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H26N2O6S3/c1-4-24-25(34-37(30,31)22-14-10-19(2)11-15-22)28-27(36-18-21-8-6-5-7-9-21)29-26(24)35-38(32,33)23-16-12-20(3)13-17-23/h5-17H,4,18H2,1-3H3