| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(Nc1ncn(c1)C2CC(O)C2)Cc3ccc(OC)cc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(CC(=O)Nc2cn(cn2)[C@H]3C[C@@H](O)C3)cc1 |
| SMILES | CACTVS | 3.352 | COc1ccc(CC(=O)Nc2cn(cn2)[CH]3C[CH](O)C3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O3/c1-22-14-4-2-11(3-5-14)6-16(21)18-15-9-19(10-17-15)12-7-13(20)8-12/h2-5,9-10,12-13,20H,6-8H2,1H3,(H,18,21)/t12-,13+ |
| InChIKey | InChI | 1.03 | SVPUOZWGAJVQMQ-BETUJISGSA-N |
