| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NC3CCCCC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(NC2CCCCC2)sc1C(=O)c3cccc(c3)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | Nc1nc(NC2CCCCC2)sc1C(=O)c3cccc(c3)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N |
| InChI | InChI | 1.03 | InChI=1S/C16H18N4O3S/c17-15-14(13(21)10-5-4-8-12(9-10)20(22)23)24-16(19-15)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,17H2,(H,18,19) |
| InChIKey | InChI | 1.03 | FLLZFUOEZYWLNJ-UHFFFAOYSA-N |
