2-[[3-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[3-[4-(2-pyrimidyl)piperazino]propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C25H29N7S2 MolecularWeight: 491.67466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H29N7S2/c1-19-22(18-34-25-29-20-6-2-3-7-21(20)30-25)26-11-8-23(19)33-17-5-12-31-13-15-32(16-14-31)24-27-9-4-10-28-24/h2-4,6-11H,5,12-18H2,1H3,(H,29,30)