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

Systemtic Name: 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenyl-benzoic acid Openeye Name: 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenyl-benzoic acid CAS Name: 2-[(2,6-dimethoxy-4-pyrimidinyl)thio]-6-phenylbenzoic acid IUPAC Name: 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenylbenzoic acid Traditional Name: 2-[(2,6-dimethoxypyrimidin-4-yl)thio]-6-phenyl-benzoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC)SC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=NC(=N1)OC)SC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O4S/c1-24-15-11-16(21-19(20-15)25-2)26-14-10-6-9-13(17(14)18(22)23)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,22,23)