| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)/C=C/CN(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |
| SMILES | CACTVS | 3.341 | CN(C)CC=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br |
| InChI | InChI | 1.03 | InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+ |
| InChIKey | InChI | 1.03 | ZCIXBBSRVLSRJQ-QPJJXVBHSA-N |
