(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoate

Systemtic Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoate Openeye Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoate CAS Name: (2R)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]hexanoate IUPAC Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylhexanoate Traditional Name: (2R)-2-[(4,6-dimethylpyrimidin-2-yl)thio]hexanoate Formula: C12H17N2O2S- MolecularWeight: 253.34058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])SC1=NC(=CC(=N1)C)C

Isomeric SMILES

CCCC[C@H](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)/p-1/t10-/m1/s1