| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2c(NCCO)cc(NCc1cnc(nc1)N)c(C(=O)N)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc(c(NCCO)cc1NCc2cnc(N)nc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | NC(=O)c1cc(c(NCCO)cc1NCc2cnc(N)nc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H17N7O4/c15-13(23)9-3-12(21(24)25)11(17-1-2-22)4-10(9)18-5-8-6-19-14(16)20-7-8/h3-4,6-7,17-18,22H,1-2,5H2,(H2,15,23)(H2,16,19,20) |
| InChIKey | InChI | 1.03 | STRAQIMXXYJKPS-UHFFFAOYSA-N |
