2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-fluoranyl-benzoic acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-fluoranyl-benzoic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-fluoro-benzoic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-6-fluorobenzoic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-fluorobenzoic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-6-fluoro-benzoic acid Formula: C13H11FN2O4S MolecularWeight: 310.300843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC2=CC=CC(=C2C(=O)O)F)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC2=CC=CC(=C2C(=O)O)F)OC

InChI

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