| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)[C@@H](O)c1cnc2N=C(N)NC(=O)c2n1 |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | LHQIJBMDNUYRAM-AWFVSMACSA-N |
