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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H18N6OS/c24-15(12-25-17-20-13-4-1-2-5-14(13)21-17)22-8-10-23(11-9-22)16-18-6-3-7-19-16/h1-7H,8-12H2,(H,20,21)