2-(1-phenethylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1-phenethylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-phenethylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-phenethyl-2-benzimidazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-phenethylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-phenethylbenzimidazol-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

InChI

InChI=1S/C25H26N6OS/c32-23(29-15-17-30(18-16-29)24-26-12-6-13-27-24)19-33-25-28-21-9-4-5-10-22(21)31(25)14-11-20-7-2-1-3-8-20/h1-10,12-13H,11,14-19H2