3-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzoic acid

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzoic acid Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzoic acid CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]benzoic acid IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzoic acid Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]benzoic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C13H12N2O2S/c1-8-6-9(2)15-13(14-8)18-11-5-3-4-10(7-11)12(16)17/h3-7H,1-2H3,(H,16,17)