| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Fc3cc1c(nc(n1)c2cccc(OCC(C)C)c2O)cc3C(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)COc1cccc(c1O)c2[nH]c3cc(F)c(cc3n2)C(N)=N |
| SMILES | CACTVS | 3.341 | CC(C)COc1cccc(c1O)c2[nH]c3cc(F)c(cc3n2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23) |
| InChIKey | InChI | 1.03 | NSUDDASMRZSVON-UHFFFAOYSA-N |
