3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H14N2O2S/c1-9-6-10(2)16-14(15-9)19-8-11-4-3-5-12(7-11)13(17)18/h3-7H,8H2,1-2H3,(H,17,18)