4-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-fluoro-2-methylphenyl)-2-methylsulfonyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-2-mesyl-pyrimidine-5-carboxylic acid Formula: C13H11FN2O4S MolecularWeight: 310.300843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=NC(=NC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=NC(=NC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H11FN2O4S/c1-7-5-8(14)3-4-9(7)11-10(12(17)18)6-15-13(16-11)21(2,19)20/h3-6H,1-2H3,(H,17,18)