| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CI |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CI)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.352 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CI)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CI)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12IN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | ZFSSJWRSRMQVTI-XVFCMESISA-N |
