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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2S/c1-5-4-6(2)11-9(10-5)14-7(3)8(12)13/h4,7H,1-3H3,(H,12,13)