| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C2=NC(=C(O)N(C2=NC(=O)N1)CC(O)C(O)C(O)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1 |
| InChIKey | InChI | 1.03 | COXMGTTXHPRZBO-BBVRLYRLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1 |
| SMILES | CACTVS | 3.385 | CC1=C(O)N(C[CH](O)[CH](O)[CH](O)CO)C2=NC(=O)NC(=O)C2=N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)O |
