| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C23H24N6O/c1-28(2)14-16-6-8-17(9-7-16)20-13-25-23(29-15-26-27-22(20)29)24-12-18-4-3-5-21-19(18)10-11-30-21/h3-9,13,15H,10-12,14H2,1-2H3,(H,24,25) |
| InChIKey | InChI | 1.03 | KCSVXFVJXLVYFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25 |
| SMILES | CACTVS | 3.385 | CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5 |
