2-(2,6-dimethoxypyrimidin-4-yl)sulfanylbenzoic acid

Systemtic Name: 2-(2,6-dimethoxypyrimidin-4-yl)sulfanylbenzoic acid Openeye Name: 2-(2,6-dimethoxypyrimidin-4-yl)sulfanylbenzoic acid CAS Name: 2-[(2,6-dimethoxy-4-pyrimidinyl)thio]benzoic acid IUPAC Name: 2-(2,6-dimethoxypyrimidin-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(2,6-dimethoxypyrimidin-4-yl)thio]benzoic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4S/c1-18-10-7-11(15-13(14-10)19-2)20-9-6-4-3-5-8(9)12(16)17/h3-7H,1-2H3,(H,16,17)