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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoic acid Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]hexanoic acid IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoic acid Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]hexanoic acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=CC(=N1)C)C

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=CC(=N1)C)C

InChI

InChI=1S/C12H18N2O2S/c1-4-5-6-10(11(15)16)17-12-13-8(2)7-9(3)14-12/h7,10H,4-6H2,1-3H3,(H,15,16)