| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)(C)CC(CO)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H20N4O/c1-13(2,3)6-9(7-18)17-12-10-4-5-14-11(10)15-8-16-12/h4-5,8-9,18H,6-7H2,1-3H3,(H2,14,15,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | VNBBVLLBKKRQPG-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C[C@@H](CO)Nc1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C[CH](CO)Nc1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)C[C@@H](CO)Nc1c2cc[nH]c2ncn1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)CC(CO)Nc1c2cc[nH]c2ncn1 |
