| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1CN(CC(N)C1)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C12H17N5/c1-8-4-9(13)6-17(5-8)12-10-2-3-14-11(10)15-7-16-12/h2-3,7-9H,4-6,13H2,1H3,(H,14,15,16)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | QMUAMNPOEYUKKC-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@H](N)CN(C1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH](N)CN(C1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1C[C@@H](CN(C1)c2c3cc[nH]c3ncn2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CC(CN(C1)c2c3cc[nH]c3ncn2)N |
