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

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(4-chlorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(4-chlorophenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(carboxymethylthio)-4-(4-chlorophenyl)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(4-chlorophenyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(carboxymethylthio)-4-(4-chlorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H11ClN2O4S MolecularWeight: 338.76614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O4S/c1-7-11(13(20)21)12(8-2-4-9(15)5-3-8)17-14(16-7)22-6-10(18)19/h2-5H,6H2,1H3,(H,18,19)(H,20,21)