2-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-(2-pyrimidin-2-ylsulfanylacetyl)-4-piperidyl]acetic acid CAS Name: 2-[1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-(2-pyrimidylthio)acetyl]-4-piperidyl]acetic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

C1CN(CCC1CC(=O)O)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C13H17N3O3S/c17-11(9-20-13-14-4-1-5-15-13)16-6-2-10(3-7-16)8-12(18)19/h1,4-5,10H,2-3,6-9H2,(H,18,19)