| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)C(=[N@H])N)CCCOc2ccc(C(=[N@H])N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1 |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21) |
| InChIKey | InChI | 1.03 | WTFXJFJYEJZMFO-UHFFFAOYSA-N |
