| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Fc1ccccc1C1CCN(C1)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H15FN4/c17-14-4-2-1-3-12(14)11-6-8-21(9-11)16-13-5-7-18-15(13)19-10-20-16/h1-5,7,10-11H,6,8-9H2,(H,18,19,20)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | PWUAMXZHVRMERA-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1[C@H]2CCN(C2)c3ncnc4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1[CH]2CCN(C2)c3ncnc4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)[C@H]2CCN(C2)c3c4cc[nH]c4ncn3)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)C2CCN(C2)c3c4cc[nH]c4ncn3)F |
