2-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanyl-acetic acid CAS Name: 2-cyclohexyl-2-[(4-methyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-cyclohexyl-2-[(4-methylpyrimidin-2-yl)thio]acetic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC(C2CCCCC2)C(=O)O

Isomeric SMILES

CC1=NC(=NC=C1)SC(C2CCCCC2)C(=O)O

InChI

InChI=1S/C13H18N2O2S/c1-9-7-8-14-13(15-9)18-11(12(16)17)10-5-3-2-4-6-10/h7-8,10-11H,2-6H2,1H3,(H,16,17)