| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c2c(ncc1C(O)C(O)C)nc(nc2N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)[C@@H](O)c1cnc2nc(N)nc(N)c2n1 |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](O)c1cnc2nc(N)nc(N)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(c1cnc2c(n1)c(nc(n2)N)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h2-3,6,16-17H,1H3,(H4,10,11,12,14,15)/t3-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | ADPRPNXHOYFHIT-BBIVZNJYSA-N |
