| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc1ccccc1C4c2c(nnc2)NC3=C4C(=O)CNC3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | ITULOGMVDYUWCK-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1[CH]2c3c[nH]nc3NC4=C2C(=O)CNC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C2c3c[nH]nc3NC4=C2C(=O)CNC4)F |
