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

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H22N6OS/c26-17(24-10-12-25(13-11-24)18-20-8-4-9-21-18)7-3-14-27-19-22-15-5-1-2-6-16(15)23-19/h1-2,4-6,8-9H,3,7,10-14H2,(H,22,23)