| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc2N=C(N(C(=O)c12)c3ccccc3)C(Nc5ncnc4ncnc45)CC |
| InChI | InChI | 1.03 | InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | IFSDAJWBUCMOAH-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](Nc1ncnc2nc[nH]c12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5 |
| SMILES | CACTVS | 3.385 | CC[CH](Nc1ncnc2nc[nH]c12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4 |
