| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [N@H]=C(N)c3ccc(c2occ(c1ccc(C(=[N@H])N)cc1)c2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)C(N)=N |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1ccc(cc1)c2cc(oc2)c3ccc(cc3)/C(=N\[H])/N)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(=N[H])N)N |
| InChI | InChI | 1.03 | InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-16(23-10-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22) |
| InChIKey | InChI | 1.03 | FUKWHJZCIGIYGP-UHFFFAOYSA-N |
