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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CN=C(N=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1C2=CN=C(N=C2C(=O)O)S(=O)(=O)C

InChI

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