| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c3nc2c(nc(nc2OCC1CCCCC1)N)n3 |
| InChI | InChI | 1.03 | InChI=1S/C13H16F3N5O/c14-13(15,16)11-18-8-9(19-11)20-12(17)21-10(8)22-6-7-4-2-1-3-5-7/h7H,1-6H2,(H3,17,18,19,20,21) |
| InChIKey | InChI | 1.03 | DMTNMDIKSMRUDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2[nH]c(nc2c(OCC3CCCCC3)n1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1nc2[nH]c(nc2c(OCC3CCCCC3)n1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N |
