2-[[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-1H-benzimidazole Formula: C17H21N6S+ MolecularWeight: 341.45384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC=C2)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC=C2)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H20N6S/c1-22-8-10-23(11-9-22)16-6-7-18-17(21-16)24-12-15-19-13-4-2-3-5-14(13)20-15/h2-7H,8-12H2,1H3,(H,19,20)/p+1