| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1CCC(COc2cc3ncnc(O)c3cc2OC)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C16H21N3O3/c1-19-5-3-11(4-6-19)9-22-15-8-13-12(7-14(15)21-2)16(20)18-10-17-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18,20) |
| InChIKey | InChI | 1.03 | JXVISOHOJNTGTD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2c(O)ncnc2cc1OCC3CCN(C)CC3 |
| SMILES | CACTVS | 3.385 | COc1cc2c(O)ncnc2cc1OCC3CCN(C)CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)O |
