2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H20N6OS/c25-17(13-26-12-16-21-14-4-1-2-5-15(14)22-16)23-8-10-24(11-9-23)18-19-6-3-7-20-18/h1-7H,8-13H2,(H,21,22)