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

Systemtic Name: 4-(4-chlorophenyl)-6-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-chlorophenyl)-2-[(1-hydroxy-1-oxopropan-2-yl)thio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C15H13ClN2O4S MolecularWeight: 352.79272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)O)C2=CC=C(C=C2)Cl)SC(C)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)O)C2=CC=C(C=C2)Cl)SC(C)C(=O)O

InChI

InChI=1S/C15H13ClN2O4S/c1-7-11(14(21)22)12(9-3-5-10(16)6-4-9)18-15(17-7)23-8(2)13(19)20/h3-6,8H,1-2H3,(H,19,20)(H,21,22)