| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC(Nc1ncnc2[NH]ccc21)C1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H18N4O/c18-7-11(9-3-1-2-4-9)17-13-10-5-6-14-12(10)15-8-16-13/h5-6,8-9,11,18H,1-4,7H2,(H2,14,15,16,17)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | YAORBZZCIYGVSL-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](Nc1ncnc2[nH]ccc12)C3CCCC3 |
| SMILES | CACTVS | 3.385 | OC[CH](Nc1ncnc2[nH]ccc12)C3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N[C@H](CO)C3CCCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC(CO)C3CCCC3 |
