4-(2-methoxyphenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-methoxyphenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methoxyphenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-methoxyphenyl)-2-methylsulfonyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methoxyphenyl)-2-methylsulfonylpyrimidine-5-carboxylic acid Traditional Name: 2-mesyl-4-(2-methoxyphenyl)pyrimidine-5-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H12N2O5S/c1-20-10-6-4-3-5-8(10)11-9(12(16)17)7-14-13(15-11)21(2,18)19/h3-7H,1-2H3,(H,16,17)