2-(carboxymethylsulfanyl)-4-methyl-6-(4-methylphenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-methyl-6-(4-methylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-methyl-6-(p-tolyl)pyrimidine-5-carboxylic acid CAS Name: 2-(carboxymethylthio)-4-methyl-6-(4-methylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-methyl-6-(4-methylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(carboxymethylthio)-4-methyl-6-(p-tolyl)pyrimidine-5-carboxylic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)O)C)C(=O)O

InChI

InChI=1S/C15H14N2O4S/c1-8-3-5-10(6-4-8)13-12(14(20)21)9(2)16-15(17-13)22-7-11(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)