1-[3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(hydroxymethyl)-3-phenethyl-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[3-(hydroxymethyl)-3-phenethyl-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[3-(hydroxymethyl)-3-phenethylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(3-methylol-3-phenethyl-piperidino)-2-(2-pyrimidylthio)ethanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C20H25N3O2S/c24-16-20(10-8-17-6-2-1-3-7-17)9-4-13-23(15-20)18(25)14-26-19-21-11-5-12-22-19/h1-3,5-7,11-12,24H,4,8-10,13-16H2