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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one Formula: C22H18BrF3N4O MolecularWeight: 491.30373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=N1)N(C(=O)N2)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)N2)C3=C(C=C(C=C3)C(C)C)Br)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H18BrF3N4O/c1-11(2)13-8-9-17(16(23)10-13)30-20-19(29-21(30)31)18(27-12(3)28-20)14-6-4-5-7-15(14)22(24,25)26/h4-11H,1-3H3,(H,29,31)