GJR
Summary
| Name: | 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine |
| Formula: | C13 H11 Cl F2 N6 O |
| Formal charge: | 0 |
| Formula weight: | 340.716 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClF2N6O/c14-13-20-11(17)10-12(21-13)22(6-19-10)4-7-3-8(1-2-18-7)23-5-9(15)16/h1-3,6,9H,4-5H2,(H2,17,20,21) |
| InChIKey | InChI | 1.03 | SYPCZSDQCBMLSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)ccn3)cnc12 |
| SMILES | CACTVS | 3.385 | Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)ccn3)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl |
