| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C21H21N3O4/c1-13(2)28-16-8-9-19(27-3)17(10-16)23-20-12-22-11-18(24-20)14-4-6-15(7-5-14)21(25)26/h4-13H,1-3H3,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.06 | YITHRAGTKVMJPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OC(C)C)cc1Nc2cncc(n2)c3ccc(cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(OC(C)C)cc1Nc2cncc(n2)c3ccc(cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(c(c1)Nc2cncc(n2)c3ccc(cc3)C(=O)O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(c(c1)Nc2cncc(n2)c3ccc(cc3)C(=O)O)OC |
