[5-methyl-6-(4-methylphenyl)sulfonyloxy-2-phenacylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-methyl-6-(4-methylphenyl)sulfonyloxy-2-phenacylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [5-methyl-2-phenacylsulfanyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-methyl-6-(4-methylphenyl)sulfonyloxy-2-(phenacylthio)-4-pyrimidinyl] ester IUPAC Name: [5-methyl-6-(4-methylphenyl)sulfonyloxy-2-phenacylsulfanylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-methyl-2-(phenacylthio)-6-tosyloxy-pyrimidin-4-yl] ester Formula: C27H24N2O7S3 MolecularWeight: 584.68366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24N2O7S3/c1-18-9-13-22(14-10-18)38(31,32)35-25-20(3)26(36-39(33,34)23-15-11-19(2)12-16-23)29-27(28-25)37-17-24(30)21-7-5-4-6-8-21/h4-16H,17H2,1-3H3