4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoic acid

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoic acid Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoic acid CAS Name: 4-(4,6-dimethyl-2-pyrimidinyl)-2-mercaptobenzoic acid IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanylbenzoic acid Traditional Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-mercapto-benzoic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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