| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccn2c(c1N)c(nc2C3CC(O)C3)c5ccc(Oc4ccccc4)cc5 |
| InChI | InChI | 1.03 | InChI=1S/C22H20N4O2/c23-21-20-19(25-22(15-12-16(27)13-15)26(20)11-10-24-21)14-6-8-18(9-7-14)28-17-4-2-1-3-5-17/h1-11,15-16,27H,12-13H2,(H2,23,24)/t15-,16+ |
| InChIKey | InChI | 1.03 | SAFIVUCEBPHLEO-IYBDPMFKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nccn2c(nc(c3ccc(Oc4ccccc4)cc3)c12)[C@@H]5C[C@H](O)C5 |
| SMILES | CACTVS | 3.370 | Nc1nccn2c(nc(c3ccc(Oc4ccccc4)cc3)c12)[CH]5C[CH](O)C5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N |
