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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]propanoic acid IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]propionic acid Formula: C9H12N2O2S MolecularWeight: 212.26878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2S/c1-6-5-7(2)11-9(10-6)14-4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)