| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(C)c2c(c1ccccc1OC)c4C(=O)CC(C)(Cc4nc2nn3)C |
| InChI | InChI | 1.03 | InChI=1S/C20H21N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8H,9-10H2,1-4H3,(H,21,22,23) |
| InChIKey | InChI | 1.03 | VDLDHQANIGAJCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1c2c3C(=O)CC(C)(C)Cc3nc4[nH]nc(C)c24 |
| SMILES | CACTVS | 3.385 | COc1ccccc1c2c3C(=O)CC(C)(C)Cc3nc4[nH]nc(C)c24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC |
