| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H19BrN6O/c26-21-15-30-32-23(29-14-16-2-1-11-28-13-16)12-22(31-25(21)32)19-7-3-17(4-8-19)18-5-9-20(10-6-18)24(27)33/h1-13,15,29H,14H2,(H2,27,33) |
| InChIKey | InChI | 1.03 | BNCZSQHEMDOHNQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(cc1)c2ccc(cc2)c3cc(NCc4cccnc4)n5ncc(Br)c5n3 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(cc1)c2ccc(cc2)c3cc(NCc4cccnc4)n5ncc(Br)c5n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N |
