| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](COC(O)=O)O3 |
| SMILES | CACTVS | 3.352 | Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](COC(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1nc(c2c(n1)n(cn2)C3CC(C(O3)COC(=O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H13N5O5/c12-9-8-10(14-3-13-9)16(4-15-8)7-1-5(17)6(21-7)2-20-11(18)19/h3-7,17H,1-2H2,(H,18,19)(H2,12,13,14)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | YSFXGKUPZLTGKR-RRKCRQDMSA-N |
