5-chloranyl-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-(2-fluorobenzyl)sulfonyl-pyrimidine-4-carboxylic acid Formula: C12H8ClFN2O4S MolecularWeight: 330.719323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)O)Cl)F

InChI

InChI=1S/C12H8ClFN2O4S/c13-8-5-15-12(16-10(8)11(17)18)21(19,20)6-7-3-1-2-4-9(7)14/h1-5H,6H2,(H,17,18)