| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)Oc1ccc(c(Br)c1F)C(=O)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H14BrFN4O2/c1-8(2)24-11-4-3-9(12(17)13(11)18)16(23)22-15-10-5-6-19-14(10)20-7-21-15/h3-8H,1-2H3,(H2,19,20,21,22,23) |
| InChIKey | InChI | 1.06 | UIAIOXKVMBZDSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(C(=O)Nc2ncnc3[nH]ccc23)c(Br)c1F |
| SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(C(=O)Nc2ncnc3[nH]ccc23)c(Br)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)Oc1ccc(c(c1F)Br)C(=O)Nc2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)Oc1ccc(c(c1F)Br)C(=O)Nc2c3cc[nH]c3ncn2 |
