2-(phenylmethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-benzylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(phenylmethylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-benzylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(benzylthio)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4OS/c22-16(14-23-13-15-5-2-1-3-6-15)20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8H,9-14H2