5-bromanyl-2-methylsulfonyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-bromanyl-2-methylsulfonyl-pyrimidine-4-carboxylic acid Openeye Name: 5-bromo-2-methylsulfonyl-pyrimidine-4-carboxylic acid CAS Name: 5-bromo-2-methylsulfonyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-bromo-2-methylsulfonylpyrimidine-4-carboxylic acid Traditional Name: 5-bromo-2-mesyl-pyrimidine-4-carboxylic acid Formula: C6H5BrN2O4S MolecularWeight: 281.0839

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)Br

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)Br

InChI

InChI=1S/C6H5BrN2O4S/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)