1-[4-(phenylmethyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-(2-pyrimidylthio)ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H21N3OS/c22-17(14-23-18-19-9-4-10-20-18)21-11-7-16(8-12-21)13-15-5-2-1-3-6-15/h1-6,9-10,16H,7-8,11-14H2