7XI
Summary
| Name: | 2-chloro-9-(3-(2,2-difluoroethoxy)benzyl)-9H-purin-6-amine |
| Formula: | C14 H12 Cl F2 N5 O |
| Formal charge: | 0 |
| Formula weight: | 339.728 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-[[3-[2,2-bis(fluoranyl)ethoxy]phenyl]methyl]-2-chloranyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12ClF2N5O/c15-14-20-12(18)11-13(21-14)22(7-19-11)5-8-2-1-3-9(4-8)23-6-10(16)17/h1-4,7,10H,5-6H2,(H2,18,20,21) |
| InChIKey | InChI | 1.03 | SGWRECBGDPUACK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)nc2n(Cc3cccc(OCC(F)F)c3)cnc12 |
| SMILES | CACTVS | 3.385 | Nc1nc(Cl)nc2n(Cc3cccc(OCC(F)F)c3)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC(F)F)Cn2cnc3c2nc(nc3N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC(F)F)Cn2cnc3c2nc(nc3N)Cl |
