| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CN(C)CCCNc1nc2cc(OC)c(OC)cc2c(n1)N1CCC(C1)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C21H34N6O2/c1-25(2)10-7-9-22-21-23-17-13-19(29-6)18(28-5)12-16(17)20(24-21)27-11-8-15(14-27)26(3)4/h12-13,15H,7-11,14H2,1-6H3,(H,22,23,24) |
| InChIKey | InChI | 1.03 | YLRHAJMWBVABHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nc(NCCCN(C)C)nc(N3CCC(C3)N(C)C)c2cc1OC |
| SMILES | CACTVS | 3.385 | COc1cc2nc(NCCCN(C)C)nc(N3CCC(C3)N(C)C)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC |
