| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1)c4cc(Nc2ncccn2)c3cc(C(=[N@H])N)ccc3c4 |
| InChI | InChI | 1.03 | InChI=1S/C22H18N6O/c23-20(24)15-8-7-14-11-16(21(29)27-17-5-2-1-3-6-17)13-19(18(14)12-15)28-22-25-9-4-10-26-22/h1-13H,(H3,23,24)(H,27,29)(H,25,26,28) |
| InChIKey | InChI | 1.03 | MMMVHDBARFPCLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C(=O)Nc4ccccc4 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C(=O)Nc4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)NC(=O)c2cc3ccc(cc3c(c2)Nc4ncccn4)C(=N)N |
