2-(4-tert-butylphenyl)-4-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 2-(4-tert-butylphenyl)-4-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-1H-benzimidazole Openeye Name: 2-(4-tert-butylphenyl)-4-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-1H-benzimidazole CAS Name: 2-(4-tert-butylphenyl)-4-[4-[[2-(methylthio)-5-pyrimidinyl]methyl]-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-(4-tert-butylphenyl)-4-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-1H-benzimidazole Traditional Name: 2-(4-tert-butylphenyl)-4-[4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazino]-1H-benzimidazole Formula: C27H32N6S MolecularWeight: 472.64818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=CN=C(N=C5)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=CN=C(N=C5)SC

InChI

InChI=1S/C27H32N6S/c1-27(2,3)21-10-8-20(9-11-21)25-30-22-6-5-7-23(24(22)31-25)33-14-12-32(13-15-33)18-19-16-28-26(34-4)29-17-19/h5-11,16-17H,12-15,18H2,1-4H3,(H,30,31)