| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc3c(c2nc1cc(OCC)c(F)cc1n2)nnc3)N(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C17H21FN6O2/c1-4-24(5-2)17(25)22-13-9-19-23-15(13)16-20-11-7-10(18)14(26-6-3)8-12(11)21-16/h7-9H,4-6H2,1-3H3,(H,19,23)(H,20,21)(H,22,25) |
| InChIKey | InChI | 1.03 | UJXIKUVGGQECLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOc1cc2nc([nH]c2cc1F)c3[nH]ncc3NC(=O)N(CC)CC |
| SMILES | CACTVS | 3.370 | CCOc1cc2nc([nH]c2cc1F)c3[nH]ncc3NC(=O)N(CC)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F |
