| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc1cc(cc(F)c1F)N(c2cc3c(nc2)nc(nc3N)N)C |
| InChI | InChI | 1.03 | InChI=1S/C14H11F3N6/c1-23(6-3-9(15)11(17)10(16)4-6)7-2-8-12(18)21-14(19)22-13(8)20-5-7/h2-5H,1H3,(H4,18,19,20,21,22) |
| InChIKey | InChI | 1.03 | RYXUPKGYPPPMSC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(c1cnc2nc(N)nc(N)c2c1)c3cc(F)c(F)c(F)c3 |
| SMILES | CACTVS | 3.370 | CN(c1cnc2nc(N)nc(N)c2c1)c3cc(F)c(F)c(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N |
