| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H20N6O/c1-2-25-22(29)28-21-12-18-17(15-7-10-23-11-8-15)5-6-20(19(18)14-26-21)27-16-4-3-9-24-13-16/h3-14,27H,2H2,1H3,(H2,25,26,28,29) |
| InChIKey | InChI | 1.03 | PUJSFHKEPIXRAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)Nc1cc2c(ccc(Nc3cccnc3)c2cn1)c4ccncc4 |
| SMILES | CACTVS | 3.385 | CCNC(=O)Nc1cc2c(ccc(Nc3cccnc3)c2cn1)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4 |
