| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | Fc3cccc(OCCCOc2c1c(nc(nc1N)N)ccc2)c3 |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1nc(N)c2c(OCCCOc3cccc(F)c3)cccc2n1 |
| SMILES | CACTVS | 3.352 | Nc1nc(N)c2c(OCCCOc3cccc(F)c3)cccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C17H17FN4O2/c18-11-4-1-5-12(10-11)23-8-3-9-24-14-7-2-6-13-15(14)16(19)22-17(20)21-13/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22) |
| InChIKey | InChI | 1.03 | WYNJMQXBACXTGZ-UHFFFAOYSA-N |
