4-(benzimidazol-1-yl)-N-[1-(1H-1,2,4-triazol-4-ium-4-yl)ethyl]pyrimidin-2-amine

Systemtic Name: 4-(benzimidazol-1-yl)-N-[1-(1H-1,2,4-triazol-4-ium-4-yl)ethyl]pyrimidin-2-amine Openeye Name: 4-(benzimidazol-1-yl)-N-[1-(1H-1,2,4-triazol-4-ium-4-yl)ethyl]pyrimidin-2-amine CAS Name: 4-(1-benzimidazolyl)-N-[1-(1H-1,2,4-triazol-4-ium-4-yl)ethyl]-2-pyrimidinamine IUPAC Name: 4-(benzimidazol-1-yl)-N-[1-(1H-1,2,4-triazol-4-ium-4-yl)ethyl]pyrimidin-2-amine Traditional Name: [4-(benzimidazol-1-yl)pyrimidin-2-yl]-[1-(1H-1,2,4-triazol-4-ium-4-yl)ethyl]amine Formula: C15H15N8+ MolecularWeight: 307.3332

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=NC=CC(=N1)N2C=NC3=CC=CC=C32)[N+]4=CNN=C4

Isomeric SMILES

CC(NC1=NC=CC(=N1)N2C=NC3=CC=CC=C32)[N+]4=CNN=C4

InChI

InChI=1S/C15H14N8/c1-11(22-9-18-19-10-22)20-15-16-7-6-14(21-15)23-8-17-12-4-2-3-5-13(12)23/h2-11H,1H3,(H,16,20,21)/p+1