9-(2-bromanyl-4,6-dimethoxy-phenyl)-2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]purine

Systemtic Name: 9-(2-bromanyl-4,6-dimethoxy-phenyl)-2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]purine Openeye Name: 9-(2-bromo-4,6-dimethoxy-phenyl)-2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]purine CAS Name: 9-(2-bromo-4,6-dimethoxyphenyl)-2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]purine IUPAC Name: 9-(2-bromo-4,6-dimethoxyphenyl)-2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]purine Traditional Name: 9-(2-bromo-4,6-dimethoxy-phenyl)-2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]purine Formula: C22H18BrF3N4O2 MolecularWeight: 507.30313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=N1)N(C(=N2)C)C3=C(C=C(C=C3Br)OC)OC)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=NC(=C2C(=N1)N(C(=N2)C)C3=C(C=C(C=C3Br)OC)OC)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H18BrF3N4O2/c1-11-27-18(14-7-5-6-8-15(14)22(24,25)26)19-21(28-11)30(12(2)29-19)20-16(23)9-13(31-3)10-17(20)32-4/h5-10H,1-4H3