| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cc(cc1Cl)C#N)c2ncnc(c2)c3ccc(cn3)F |
| InChI | InChI | 1.03 | InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H |
| InChIKey | InChI | 1.03 | FQAXDSVNYVVQSE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(nc1)c2cc(ncn2)c3cc(Cl)cc(c3)C#N |
| SMILES | CACTVS | 3.385 | Fc1ccc(nc1)c2cc(ncn2)c3cc(Cl)cc(c3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N |
