1-[[2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]benzimidazole

Systemtic Name: 1-[[2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]benzimidazole Openeye Name: 1-[[2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]benzimidazole CAS Name: 1-[[2-methyl-3-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethylthio]phenyl]methyl]benzimidazole IUPAC Name: 1-[[2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]benzimidazole Traditional Name: 1-[2-methyl-3-[2-[4-(2-pyrimidyl)piperazino]ethylthio]benzyl]benzimidazole Formula: C25H28N6S MolecularWeight: 444.59502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCN2CCN(CC2)C3=NC=CC=N3)CN4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=CC=C1SCCN2CCN(CC2)C3=NC=CC=N3)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C25H28N6S/c1-20-21(18-31-19-28-22-7-2-3-8-23(22)31)6-4-9-24(20)32-17-16-29-12-14-30(15-13-29)25-26-10-5-11-27-25/h2-11,19H,12-18H2,1H3