1-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[benzyl(methyl)amino]-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[methyl-(phenylmethyl)amino]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-[benzyl(methyl)amino]piperidino]-2-(2-pyrimidylthio)ethanone Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCCN(C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H24N4OS/c1-22(13-16-7-3-2-4-8-16)17-9-5-12-23(14-17)18(24)15-25-19-20-10-6-11-21-19/h2-4,6-8,10-11,17H,5,9,12-15H2,1H3/t17-/m0/s1