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RBU

Summary
Name:RUTHEMIUM BIS(2,2'-BIPYRIDINE)-2-IMIDAZOLE
Formula:C23 H20 N6 Ru
Formal charge:0
Formula weight:481.515 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71~{H}-imidazol-3-yl-bis(2-pyridin-2-ylpyridin-1-yl)ruthenium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/2C10H8N2.C3H4N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H,(H,4,5);
InChIKeyInChI1.06LVAGRRXZENULKW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc(nc4)c5ccccn5
SMILESCACTVS3.385[Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc(nc4)c5ccccn5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5
SMILESOpenEye OEToolkits2.0.7c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5

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PDB entries from 2024-07-10

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