2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid Formula: C8H10N2O2S MolecularWeight: 198.2422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)O)C

InChI

InChI=1S/C8H10N2O2S/c1-5-3-6(2)10-8(9-5)13-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)