| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)CC |
| InChI | InChI | 1.03 | InChI=1S/C17H15BrN4O/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/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22) |
| InChIKey | InChI | 1.03 | WUPUZEMRHDROEO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br |
