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

Systemtic Name: 4-(2-methylphenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfonyl-4-(o-tolyl)pyrimidine-5-carboxylic acid CAS Name: 4-(2-methylphenyl)-2-methylsulfonyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methylphenyl)-2-methylsulfonylpyrimidine-5-carboxylic acid Traditional Name: 2-mesyl-4-(o-tolyl)pyrimidine-5-carboxylic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H12N2O4S/c1-8-5-3-4-6-9(8)11-10(12(16)17)7-14-13(15-11)20(2,18)19/h3-7H,1-2H3,(H,16,17)