| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c13nc(nc(c1nc(N(c2ccc(OC(F)(F)F)cc2)C)cc3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C15H13F3N6O/c1-24(8-2-4-9(5-3-8)25-15(16,17)18)11-7-6-10-12(22-11)13(19)23-14(20)21-10/h2-7H,1H3,(H4,19,20,21,23) |
| InChIKey | InChI | 1.03 | JEGBSKQTMYWCPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(c1ccc(OC(F)(F)F)cc1)c2ccc3nc(N)nc(N)c3n2 |
| SMILES | CACTVS | 3.385 | CN(c1ccc(OC(F)(F)F)cc1)c2ccc3nc(N)nc(N)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N |
