| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n1c(N)c(cnc1N)Cc3ccc(OCc2ccc(OC)cc2)c(OC)c3 |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24) |
| InChIKey | InChI | 1.03 | MYQAUKPBNJWPIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N |
