| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1CCCC1NC(=O)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C12H14N4O2/c17-9-3-1-2-8(9)16-12(18)10-7-4-5-13-11(7)15-6-14-10/h4-6,8-9,17H,1-3H2,(H,16,18)(H,13,14,15)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.06 | NYVZHZCXERSRHW-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCC[C@@H]1NC(=O)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CCC[CH]1NC(=O)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)C(=O)N[C@H]3CCC[C@H]3O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)C(=O)NC3CCCC3O |
