| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | N(/OC1CCCN(C)C1)=C\c2ccc(C(=[N@H])N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | CN1CCC[C@H](C1)O\N=C\c2ccc(cc2)C(N)=N |
| SMILES | CACTVS | 3.352 | CN1CCC[CH](C1)ON=Cc2ccc(cc2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)/C=N/O[C@@H]2CCCN(C2)C)\N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCCC(C1)ON=Cc2ccc(cc2)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4O/c1-18-8-2-3-13(10-18)19-17-9-11-4-6-12(7-5-11)14(15)16/h4-7,9,13H,2-3,8,10H2,1H3,(H3,15,16)/b17-9+/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | GFIFKVKMSCQHRZ-LFMVTYOGSA-N |
