| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(N)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)N)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H16N6O2/c19-16(25)11-5-7-12(8-6-11)22-18-21-10-9-15(24-18)23-14-4-2-1-3-13(14)17(20)26/h1-10H,(H2,19,25)(H2,20,26)(H2,21,22,23,24) |
| InChIKey | InChI | 1.03 | DYZNHQCKJOEZRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1 |
| SMILES | CACTVS | 3.370 | NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N |
