| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2nc1c(ncnc1n2C3OC(C(O)C3O)C\N=[N+]=[N-])N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(Br)nc12 |
| SMILES | CACTVS | 3.370 | Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(Br)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN=[N+]=[N-])O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11BrN8O3/c11-10-17-4-7(12)14-2-15-8(4)19(10)9-6(21)5(20)3(22-9)1-16-18-13/h2-3,5-6,9,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | USVISQHKGJAQDS-UUOKFMHZSA-N |
