3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoate

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoate Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoate CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]propanoate IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]propionate Formula: C9H11N2O2S- MolecularWeight: 211.26084

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)/p-1