| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)c2nc5c(cc2C(Nc4ncnc3c4ncn3)C)cccc5Cl |
| InChI | InChI | 1.03 | InChI=1S/C22H16ClFN6/c1-12(29-22-20-21(26-10-25-20)27-11-28-22)16-9-14-5-3-7-17(23)19(14)30-18(16)13-4-2-6-15(24)8-13/h2-12H,1H3,(H2,25,26,27,28,29)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | OBNLXBLOBJTAKW-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1ncnc2[nH]cnc12)c3cc4cccc(Cl)c4nc3c5cccc(F)c5 |
| SMILES | CACTVS | 3.385 | C[CH](Nc1ncnc2[nH]cnc12)c3cc4cccc(Cl)c4nc3c5cccc(F)c5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4 |
