J70

Summary

Name:	Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)
Formula:	C24 H24 N6 O4 Pt
Formal charge:	0
Formula weight:	655.563 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/C20H11N3O4.C4H13N3.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10;5-1-3-7-4-2-6;/h1-8H,9H2,(H,22,24,25);7H,1-6H2;
InChIKey	InChI	1.06	RHZLCJDDMRMAMB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[Pt].NCCNCCN.O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35
SMILES	CACTVS	3.385	[Pt].NCCNCCN.O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7