4-methyl-6-(4-methylphenyl)-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-(4-methylphenyl)-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-4-methyl-6-(p-tolyl)pyrimidine-5-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxopropan-2-yl)thio]-4-methyl-6-(4-methylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-4-methyl-6-(4-methylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-4-methyl-6-(p-tolyl)pyrimidine-5-carboxylic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-8-4-6-11(7-5-8)13-12(15(21)22)9(2)17-16(18-13)23-10(3)14(19)20/h4-7,10H,1-3H3,(H,19,20)(H,21,22)