| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) |
| InChIKey | InChI | 1.03 | XLIBABIFOBYHSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncccc1c2cnc(NCc3c(F)ccc4OCCc34)n5cnnc25 |
| SMILES | CACTVS | 3.385 | Cc1ncccc1c2cnc(NCc3c(F)ccc4OCCc34)n5cnnc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F |
