N2,N5-bis(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: N2,N5-bis(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: N2,N5-bis(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: N2,N5-bis(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: 2-N,5-N-bis(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: (6-methyl-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: C60H50N24Zn2-2 MolecularWeight: 1238.0178

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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=C(N5)C=C(C=C6)C)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=C(N5)C=C(C=C6)C)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=C(N5)C=C(C=C6)C)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=C(N5)C=C(C=C6)C)C7=CC=CC=N7)C8=CN=CC=C8.[Zn].[Zn]

InChI

InChI=1S/2C30H25N12.2Zn/c2*1-17-8-10-20-22(14-17)35-25(33-20)37-27-39-29(19-6-5-12-31-16-19)30(41-27,24-7-3-4-13-32-24)42-28(40-29)38-26-34-21-11-9-18(2)15-23(21)36-26;;/h2*3-16H,1-2H3,(H5-,33,34,35,36,37,38,39,40,41,42);;/q2*-1;;