| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1OC)Nc3nn(c2cccc(OC)c23)C |
| InChI | InChI | 1.03 | InChI=1S/C17H18N4O3/c1-21-12-8-6-10-14(24-3)15(12)16(20-21)19-17(22)18-11-7-4-5-9-13(11)23-2/h4-10H,1-3H3,(H2,18,19,20,22) |
| InChIKey | InChI | 1.03 | JTBMRDKIPGSWTG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23 |
| SMILES | CACTVS | 3.385 | COc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC |
