| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)OC1CCCN(C1)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C12H14F2N4O/c13-12(14)19-8-2-1-5-18(6-8)11-9-3-4-15-10(9)16-7-17-11/h3-4,7-8,12H,1-2,5-6H2,(H,15,16,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | SPJBANAPMAFQTE-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)O[C@H]1CCCN(C1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | FC(F)O[CH]1CCCN(C1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)OC(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CCCC(C3)OC(F)F |
