| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H18N4O5/c1-22-14-11(13(21)12(20)10(7-19)23-14)18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12-,13-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | GWSVVXWGZNVVOP-ITGHMWBKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1n2cc(nn2)c3cccnc3 |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3cccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1C(C(C(C(O1)CO)O)O)n2cc(nn2)c3cccnc3 |
