9-(2-bromanyl-4,6-dimethoxy-phenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one

Systemtic Name: 9-(2-bromanyl-4,6-dimethoxy-phenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one Openeye Name: 9-(2-bromo-4,6-dimethoxy-phenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one CAS Name: 9-(2-bromo-4,6-dimethoxyphenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]-8-purinone IUPAC Name: 9-(2-bromo-4,6-dimethoxyphenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one Traditional Name: 9-(2-bromo-4,6-dimethoxy-phenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one Formula: C22H18BrF3N4O3 MolecularWeight: 523.30253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=N1)N(C(=O)N2C)C3=C(C=C(C=C3Br)OC)OC)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=NC(=C2C(=N1)N(C(=O)N2C)C3=C(C=C(C=C3Br)OC)OC)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H18BrF3N4O3/c1-11-27-17(13-7-5-6-8-14(13)22(24,25)26)19-20(28-11)30(21(31)29(19)2)18-15(23)9-12(32-3)10-16(18)33-4/h5-10H,1-4H3