I6K

Summary

Name:	2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex
Formula:	C15 H9 Au Cl N9
Formal charge:	2
Formula weight:	547.712 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C15H9N9.Au.ClH/c1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12;;/h1-9H;;1H/q;+3;/p-1
InChIKey	InChI	1.06	OMUSLKQLSBGRIK-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	Cl[Au@-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6
SMILES	CACTVS	3.385	Cl[Au-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cnc(nc1)c2nc-3[n+]4c(n2)-c5nccc[n+]5[Au-]4([n+]6c3nccc6)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cnc(nc1)c2nc-3[n+]4c(n2)-c5nccc[n+]5[Au-]4([n+]6c3nccc6)Cl