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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]-8-purinone IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-2,7-dimethyl-6-[2-(trifluoromethyl)phenyl]purin-8-one Formula: C23H20BrF3N4O MolecularWeight: 505.33031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrF3N4O/c1-12(2)14-9-10-18(17(24)11-14)31-21-20(30(4)22(31)32)19(28-13(3)29-21)15-7-5-6-8-16(15)23(25,26)27/h5-12H,1-4H3