2PT

Summary

Name:	1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-DIMETHYLTHIOUREA-PLATINUM(II)-ETHANE-1,2-DIAMINE
Formula:	C20 H29 N6 Pt S
Formal charge:	3
Formula weight:	580.627 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	1.03	InChI=1S/C18H20N4S.C2H8N2.Pt/c1-19-18(23)22(2)12-11-20-17-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)17;3-1-2-4;/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,21);1-4H2;/q;;+2/p+1
InChIKey	InChI	1.03	OKAPUBIJKIBDMC-UHFFFAOYSA-O
SMILES_CANONICAL	CACTVS	3.385	[Pt++]\|1(\|NCCN\|1)\|S=C(NC)N(C)CCNc2c3ccccc3[nH+]c4ccccc24
SMILES	CACTVS	3.385	[Pt++]\|1(\|NCCN\|1)\|S=C(NC)N(C)CCNc2c3ccccc3[nH+]c4ccccc24
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4
SMILES	OpenEye OEToolkits	1.7.6	CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4