N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2SCC#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2SCC#N)C3=NC=CC=N3

InChI

InChI=1S/C18H20N6OS/c19-6-13-26-16-5-2-1-4-15(16)22-17(25)14-23-9-11-24(12-10-23)18-20-7-3-8-21-18/h1-5,7-8H,9-14H2,(H,22,25)