2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylphenyl)pyrimidine-1,4-dicarboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylphenyl)pyrimidine-1,4-dicarboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(o-tolyl)pyrimidine-1,4-dicarboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(2-methylphenyl)pyrimidine-1,4-dicarboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylphenyl)pyrimidine-1,4-dicarboxylic acid Traditional Name: 6-methyl-4-(o-tolyl)-2-(p-anisylthio)pyrimidine-1,4-dicarboxylic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C=C(N(C(=N2)SCC3=CC=C(C=C3)OC)C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2(C=C(N(C(=N2)SCC3=CC=C(C=C3)OC)C(=O)O)C)C(=O)O

InChI

InChI=1S/C22H22N2O5S/c1-14-6-4-5-7-18(14)22(19(25)26)12-15(2)24(21(27)28)20(23-22)30-13-16-8-10-17(29-3)11-9-16/h4-12H,13H2,1-3H3,(H,25,26)(H,27,28)