| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Fc3c(Oc1cc(C(=[NH2+])\N)ccc1)nc(Oc2cccc(C(=[NH2+])\N)c2)c(F)c3C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(F)c(Oc2cccc(c2)C(N)=[NH2+])nc(Oc3cccc(c3)C(N)=[NH2+])c1F |
| SMILES | CACTVS | 3.341 | Cc1c(F)c(Oc2cccc(c2)C(N)=[NH2+])nc(Oc3cccc(c3)C(N)=[NH2+])c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F |
| InChI | InChI | 1.03 | InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+2 |
| InChIKey | InChI | 1.03 | ZXIHYCYAQUQHSG-UHFFFAOYSA-P |
