N5-(1H-benzimidazol-2-yl)-N2-(6-methyl-1H-benzimidazol-2-yl)-6a-pyridin-2-yl-3a-pyridin-3-yl-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc

Systemtic Name: N5-(1H-benzimidazol-2-yl)-N2-(6-methyl-1H-benzimidazol-2-yl)-6a-pyridin-2-yl-3a-pyridin-3-yl-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc Openeye Name: N5-(1H-benzimidazol-2-yl)-N2-(6-methyl-1H-benzimidazol-2-yl)-6a-(2-pyridyl)-3a-(3-pyridyl)-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc CAS Name: N5-(1H-benzimidazol-2-yl)-N2-(6-methyl-1H-benzimidazol-2-yl)-6a-(2-pyridinyl)-3a-(3-pyridinyl)-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc IUPAC Name: 5-N-(1H-benzimidazol-2-yl)-2-N-(6-methyl-1H-benzimidazol-2-yl)-6a-pyridin-2-yl-3a-pyridin-3-yl-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc Traditional Name: 1H-benzimidazol-2-yl-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]-6a-(2-pyridyl)-3a-(3-pyridyl)-1H-imidaz[4,5-d]imidazol-4-id-5-yl]amine; zinc Formula: C58H46N24Zn2-2 MolecularWeight: 1209.96464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)NC3=NC4(C(N3)(N=C([N-]4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CN=CC=C8.CC1=CC2=C(C=C1)N=C(N2)NC3=NC4(C(N3)(N=C([N-]4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CN=CC=C8.[Zn].[Zn]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)NC3=NC4(C(N3)(N=C([N-]4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CN=CC=C8.CC1=CC2=C(C=C1)N=C(N2)NC3=NC4(C(N3)(N=C([N-]4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CN=CC=C8.[Zn].[Zn]

InChI

InChI=1S/2C29H23N12.2Zn/c2*1-17-11-12-21-22(15-17)35-25(34-21)37-27-39-28(18-7-6-13-30-16-18)29(41-27,23-10-4-5-14-31-23)40-26(38-28)36-24-32-19-8-2-3-9-20(19)33-24;;/h2*2-16H,1H3,(H5-,32,33,34,35,36,37,38,39,40,41);;/q2*-1;;