| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N |
| InChI | InChI | 1.03 | InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19) |
| InChIKey | InChI | 1.03 | BXNMTOQRYBFHNZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O |
| SMILES | CACTVS | 3.370 | CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N |
