| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O(c1ccc(cc1)C(=[N@H])N)CCCCCCCOc2ccc(C(=[N@H])N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C21H28N4O2/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13H,1-5,14-15H2,(H3,22,23)(H3,24,25) |
| InChIKey | InChI | 1.03 | IUJKKCRARYRWFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(N)=N)cc1 |
| SMILES | CACTVS | 3.370 | NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(N)=N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/N)\c1ccc(cc1)OCCCCCCCOc2ccc(cc2)/C(=N\[H])/N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=N)N)OCCCCCCCOc2ccc(cc2)C(=N)N |
