| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)\C=C |
| SMILES_CANONICAL | CACTVS | 3.341 | Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 |
| SMILES | CACTVS | 3.341 | Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br |
| InChI | InChI | 1.03 | InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22) |
| InChIKey | InChI | 1.03 | HTUBKQUPEREOGA-UHFFFAOYSA-N |
