2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylphenyl)-4H-pyrimidine-3,5-dicarboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylphenyl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(o-tolyl)-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(2-methylphenyl)-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylphenyl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-4-(o-tolyl)-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(N=C(N2C(=O)O)SCC3=CC=C(C=C3)OC)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C(=C(N=C(N2C(=O)O)SCC3=CC=C(C=C3)OC)C)C(=O)O

InChI

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