CX8

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Summary

Name:[2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum
Formula:C19 H21 N4 O2 Pt
Formal charge:0
Molecular weight:532.474 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum
OpenEye OEToolkits1.9.22-[3-(1,4,6-triaza-5$l^{3}-platinabicyclo[3.3.0]octan-4-yl)propyl]benzo[de]isoquinoline-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3c1c2c(ccc1)cccc2C(=O)N3CCCN5[Pt]4NCCN4CC5
InChIInChI1.03InChI=1S/C19H21N4O2.Pt/c20-8-10-22-12-11-21-9-3-13-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25;/h1-2,4-7,20H,3,8-13H2;/q-3;+3
InChIKeyInChI1.03XUMMUUAWYGZUAF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N(CCCN2CCN3CCN[Pt]23)C(=O)c4cccc5cccc1c45
SMILESCACTVS3.385O=C1N(CCCN2CCN3CCN[Pt]23)C(=O)c4cccc5cccc1c45
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5
SMILESOpenEye OEToolkits1.9.2c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5