| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O(c1cccc(c1)c2cccc(c2)C(NC(=[N@H])N)c3ccncc3)C |
| InChI | InChI | 1.03 | InChI=1S/C20H20N4O/c1-25-18-7-3-5-16(13-18)15-4-2-6-17(12-15)19(24-20(21)22)14-8-10-23-11-9-14/h2-13,19H,1H3,(H4,21,22,24)/t19-/m1/s1 |
| InChIKey | InChI | 1.03 | LSPQISZRKHVJOD-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2cccc(c2)[C@H](NC(N)=N)c3ccncc3 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)c2cccc(c2)[CH](NC(N)=N)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(\N)/N[C@H](c1ccncc1)c2cccc(c2)c3cccc(c3)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1cccc(c1)c2cccc(c2)C(c3ccncc3)NC(=N)N |
