2-cyclohexyl-2-pyrimidin-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-cyclohexyl-2-pyrimidin-2-ylsulfanyl-ethanoic acid Openeye Name: 2-cyclohexyl-2-pyrimidin-2-ylsulfanyl-acetic acid CAS Name: 2-cyclohexyl-2-(2-pyrimidinylthio)acetic acid IUPAC Name: 2-cyclohexyl-2-pyrimidin-2-ylsulfanylacetic acid Traditional Name: 2-cyclohexyl-2-(2-pyrimidylthio)acetic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)SC2=NC=CC=N2

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)SC2=NC=CC=N2

InChI

InChI=1S/C12H16N2O2S/c15-11(16)10(9-5-2-1-3-6-9)17-12-13-7-4-8-14-12/h4,7-10H,1-3,5-6H2,(H,15,16)