[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H22N6OS/c30-21(28-12-14-29(15-13-28)22-24-10-3-11-25-22)18-8-6-17(7-9-18)16-31-23-26-19-4-1-2-5-20(19)27-23/h1-11H,12-16H2,(H,26,27)