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Publisher: The American Chemical Society
Journal: Inorganic Chemistry
Year/Issue: 2005/23

Article (via DOI): 10.1021/ic050788s

Available Resources

Result files

CML

Images

Large 2D Structure

Bond Properties

Lengths
Angles
Torsions

Moiety Components

Fragments


InChI:

InChI=1/C46H54N12O2/c1-7-17-27-28(18-8-2)38-51-37(27)52-39-29(19-9-3)31(21-11-5)41(54-39)56-43-35(49-45(59)33-23-13-15-25-47-33)36(50-46(60)34-24-14-16-26-48-34)44(58-43)57-42-32(22-12-6)30(20-10-4)40(53-38)55-42/h13-16,23-26H,7-12,17-22H2,1-6H3,(H,49,59)(H,50,60)(H2,51,52,53,54,55,56,57,58)

SMILES:

[H]C=1N=C(C([H])=C([H])C=1([H]))C(=O)N([H])C=6C2=NC(=NC5=C(C(=C(N=C4N=C(N=C3C(=C(C(=N2)N3([H]))C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C(=C4C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])N5([H]))C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C=6N([H])C(=O)C7=NC([H])=C([H])C([H])=C7([H])