Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O1CCN(CC1)C3C4OCC(C(NCc2ccncc2)C3O)O4 |
InChI | InChI | 1.03 | InChI=1S/C16H23N3O4/c20-15-13(18-9-11-1-3-17-4-2-11)12-10-22-16(23-12)14(15)19-5-7-21-8-6-19/h1-4,12-16,18,20H,5-10H2/t12-,13-,14-,15+,16-/m1/s1 |
InChIKey | InChI | 1.03 | RCXMXLJCXLGFHQ-DGXTUMSLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](NCc2ccncc2)[C@H]3CO[C@H](O3)[C@@H]1N4CCOCC4 |
SMILES | CACTVS | 3.385 | O[CH]1[CH](NCc2ccncc2)[CH]3CO[CH](O3)[CH]1N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnccc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cnccc1CNC2C3COC(O3)C(C2O)N4CCOCC4 |