| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC3C(c2nc1ccccc1n2)NC(C)C3O |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O2/c1-6-10(16)11(17)9(13-6)12-14-7-4-2-3-5-8(7)15-12/h2-6,9-11,13,16-17H,1H3,(H,14,15)/t6-,9+,10+,11-/m0/s1 |
| InChIKey | InChI | 1.03 | WKDUAKZZRFRSAE-HCPDIIQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1N[C@H]([C@H](O)[C@@H]1O)c2[nH]c3ccccc3n2 |
| SMILES | CACTVS | 3.370 | C[CH]1N[CH]([CH](O)[CH]1O)c2[nH]c3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(C(N1)c2[nH]c3ccccc3n2)O)O |
