| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27) |
| InChIKey | InChI | 1.06 | NQXMSMNRHYWXDM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI |
| SMILES | CACTVS | 3.385 | ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1N(CN(CN1C(=O)CNC(=O)CI)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1N(CN(CN1C(=O)CNC(=O)CI)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI |
