| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC |
| InChI | InChI | 1.03 | InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) |
| InChIKey | InChI | 1.03 | GSGVDKOCBKBMGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1nc(NC2CCCC2)c(c(NC3CCCC3)n1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CSc1nc(NC2CCCC2)c(c(NC3CCCC3)n1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3 |
