| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4 |
| InChI | InChI | 1.03 | InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17- |
| InChIKey | InChI | 1.03 | VEKOTFOGNGVLSE-QAQDUYKDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c2cnc3nc(ccc3c2)C4CC4 |
| SMILES | CACTVS | 3.385 | CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3nc(ccc3c2)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O |
