| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)C(O)Cn1c2ncnc(c2nc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(C[C@@H](O)[C@@H](O)C(O)=O)cnc12 |
| SMILES | CACTVS | 3.341 | Nc1ncnc2n(C[CH](O)[CH](O)C(O)=O)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)CC(C(C(=O)O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | LIEMBEWXEZJEEZ-INEUFUBQSA-N |
