| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n2c(c1ccc(OC)cc1)cc(nc2N)NCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C19H28N4O/c1-3-4-5-6-7-8-13-21-18-14-17(22-19(20)23-18)15-9-11-16(24-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H3,20,21,22,23) |
| InChIKey | InChI | 1.03 | HPTZTRACBOHBMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCNc1cc(nc(N)n1)c2ccc(OC)cc2 |
| SMILES | CACTVS | 3.385 | CCCCCCCCNc1cc(nc(N)n1)c2ccc(OC)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC |
