| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H25N3O3/c1-13-14(2)24-10-9-16-18(21(24)22-13)23-17(15-7-5-4-6-8-15)19(25)20(16)27-12-11-26-3/h4-10,17,19-20,23,25H,11-12H2,1-3H3/t17-,19-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | PWILYDZRJORZDR-MISYRCLQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCO[C@H]1[C@H](O)[C@H](Nc2c1ccn3c(C)c(C)nc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | COCCO[CH]1[CH](O)[CH](Nc2c1ccn3c(C)c(C)nc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3OCCOC)O)c4ccccc4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n2ccc3c(c2n1)NC(C(C3OCCOC)O)c4ccccc4)C |
