| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C2=NC(=CN(C2=NC(=O)N1)CC(O)C(O)C(O)CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4O7/c17-3-5-1-16(2-6(19)9(21)7(20)4-18)10-8(13-5)11(22)15-12(23)14-10/h1,6-7,9,17-21H,2-4H2,(H,15,22,23)/t6-,7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | RTNMDIMJQSRAGT-BHNWBGBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@@H](O)[C@H](O)CN1C=C(CO)N=C2C(=O)NC(=O)N=C12 |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH](O)[CH](O)CN1C=C(CO)N=C2C(=O)NC(=O)N=C12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(N=C2C(=O)NC(=O)N=C2N1CC(C(C(CO)O)O)O)CO |
