Want to comment
on this record?

7-(4-bromophenyl)-8-[4-(difluoromethoxy)phenyl]-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione

ChemSpider ID: 1234438
Molecular Formula: C₂₂H₁₆BrF₂N₅O₃
Average mass: 516.294922 Da
Monoisotopic mass: 515.040466 Da
Systematic name

7-(4-Bromophenyl)-8-[4-(difluoromethoxy)phenyl]-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
SMILES and InChIs

SMILES:

FC(F)Oc5ccc(n2c(cn1c3C(=O)N(C(=O)N(c3nc12)C)C)c4ccc(Br)cc4)cc5 Copied

Std. InChI:

InChI=1S/C22H16BrF2N5O3/c1-27-18-17(19(31)28(2)22(27)32)29-11-16(12-3-5-13(23)6-4-12)30(21(29)26-18)14-7-9-15(10-8-14)33-20(24)25/h3-11,20H,1-2H3 Copied

Std. InChIKey:

ZHDFDWOMNVBBAC-UHFFFAOYSA-N Copied
Cite this record
CSID:1234438, http://www.chemspider.com/Chemical-Structure.1234438.html (accessed 08:01, May 24, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

7-(4-bromophenyl)-8-[4-(difluoromethoxy)phenyl]-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Advertise Sponsor