[2-[(4-methoxyphenyl)methylsulfanyl]-6-(4-methylphenyl)sulfonyloxy-5-propan-2-yl-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(4-methoxyphenyl)methylsulfanyl]-6-(4-methylphenyl)sulfonyloxy-5-propan-2-yl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [5-isopropyl-2-[(4-methoxyphenyl)methylsulfanyl]-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-methoxyphenyl)methylthio]-6-(4-methylphenyl)sulfonyloxy-5-propan-2-yl-4-pyrimidinyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylsulfanyl]-6-(4-methylphenyl)sulfonyloxy-5-propan-2-ylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-isopropyl-2-(p-anisylthio)-6-tosyloxy-pyrimidin-4-yl] ester Formula: C29H30N2O7S3 MolecularWeight: 614.7527

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)SCC3=CC=C(C=C3)OC)OS(=O)(=O)C4=CC=C(C=C4)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NC(=N2)SCC3=CC=C(C=C3)OC)OS(=O)(=O)C4=CC=C(C=C4)C)C(C)C

InChI

InChI=1S/C29H30N2O7S3/c1-19(2)26-27(37-40(32,33)24-14-6-20(3)7-15-24)30-29(39-18-22-10-12-23(36-5)13-11-22)31-28(26)38-41(34,35)25-16-8-21(4)9-17-25/h6-17,19H,18H2,1-5H3