| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [N@H]=C(N)c4ccc(c1ccc2c(c1)nc(c2)c3ccc(C(=[N@H])N)cc3)cc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)c4ccc(cc4)C(N)=N |
| SMILES | CACTVS | 3.370 | NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)c4ccc(cc4)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | [H]/N=C(/c1ccc(cc1)c2ccc3cc([nH]c3c2)c4ccc(cc4)/C(=N\[H])/N)\N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1c2ccc3cc([nH]c3c2)c4ccc(cc4)C(=N)N)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C22H19N5/c23-21(24)15-5-1-13(2-6-15)17-9-10-18-12-19(27-20(18)11-17)14-3-7-16(8-4-14)22(25)26/h1-12,27H,(H3,23,24)(H3,25,26) |
| InChIKey | InChI | 1.03 | AXMNWOOVENPWID-UHFFFAOYSA-N |
