N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate

Systemtic Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate Openeye Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-bis(2-pyridyl)-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate CAS Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-bis(2-pyridinyl)-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate IUPAC Name: 2-N,5-N-bis(1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate Traditional Name: 1H-benzimidazol-2-yl-[5-(1H-benzimidazol-2-ylamino)-3a,6a-bis(2-pyridyl)-1,6-dihydroimidaz[4,5-d]imidazol-2-yl]amine; zinc; dinitrate Formula: C56H44N26O6Zn2-2 MolecularWeight: 1307.93716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NC3=NC4(C(N3)(NC(=N4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CC=CC=N8.C1=CC=C2C(=C1)NC(=N2)NC3=NC4(C(N3)(NC(=N4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CC=CC=N8.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zn].[Zn]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NC3=NC4(C(N3)(NC(=N4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CC=CC=N8.C1=CC=C2C(=C1)NC(=N2)NC3=NC4(C(N3)(NC(=N4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CC=CC=N8.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zn].[Zn]

InChI

InChI=1S/2C28H22N12.2NO3.2Zn/c2*1-2-10-18-17(9-1)31-23(32-18)35-25-37-27(21-13-5-7-15-29-21)28(38-25,22-14-6-8-16-30-22)40-26(39-27)36-24-33-19-11-3-4-12-20(19)34-24;2*2-1(3)4;;/h2*1-16H,(H3,31,32,35,37,38)(H3,33,34,36,39,40);;;;/q;;2*-1;;