| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4ccc3c(C(=NCC3)C(C)C)c4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12 |
| SMILES | CACTVS | 3.341 | CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C24H24N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29) |
| InChIKey | InChI | 1.03 | XRHANBWAKSYPEN-UHFFFAOYSA-N |
