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Summary Geometry Related PDB entries

U0J

Summary

Name:	{(2R)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1H-imidazol-2-yl}(dichloro)ruthenium
Formula:	C19 H16 Cl2 N2 Ru
Formal charge:	0
Formula weight:	444.32 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	{(2R)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1H-imidazol-2-yl}(dichloro)ruthenium
OpenEye OEToolkits	2.0.7	[1-(anthracen-9-ylmethyl)-3-methyl-imidazol-2-yl]-bis(chloranyl)ruthenium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C4=CN(Cc2c1ccccc1cc3ccccc23)C(N4C)[Ru](Cl)Cl
InChI	InChI	1.03	InChI=1S/C19H17N2.2ClH.Ru/c1-20-10-11-21(14-20)13-19-17-8-4-2-6-15(17)12-16-7-3-5-9-18(16)19;;;/h2-12,14H,13H2,1H3;2*1H;/q;;;+2/p-2
InChIKey	InChI	1.03	KISMSSNGIFBOOC-UHFFFAOYSA-L
SMILES_CANONICAL	CACTVS	3.385	CN1CN(Cc2c3ccccc3cc4ccccc24)C=C1.Cl[Ru]Cl
SMILES	CACTVS	3.385	CN1CN(Cc2c3ccccc3cc4ccccc24)C=C1.Cl[Ru]Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4
SMILES	OpenEye OEToolkits	2.0.7	CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4

222415

PDB entries from 2024-07-10

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