| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2cnc(c1nnnn1)cc2)NCB(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H9BN6O4S/c15-8(16)4-10-19(17,18)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15-16H,4H2,(H,11,12,13,14) |
| InChIKey | InChI | 1.03 | HHNYNQPNDNBATH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OB(O)CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2 |
| SMILES | CACTVS | 3.370 | OB(O)CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O |
