9-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-8-(trifluoromethyl)-3H-purin-6-one

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-8-(trifluoromethyl)-3H-purin-6-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-2-methyl-8-(trifluoromethyl)-3H-purin-6-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-2-methyl-8-(trifluoromethyl)-3H-purin-6-one IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-2-methyl-8-(trifluoromethyl)-3H-purin-6-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-2-methyl-8-(trifluoromethyl)-3H-purin-6-one Formula: C16H14BrF3N4O MolecularWeight: 415.20777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)N(C(=N2)C(F)(F)F)C3=C(C=C(C=C3)C(C)C)Br

Isomeric SMILES

CC1=NC(=O)C2=C(N1)N(C(=N2)C(F)(F)F)C3=C(C=C(C=C3)C(C)C)Br

InChI

InChI=1S/C16H14BrF3N4O/c1-7(2)9-4-5-11(10(17)6-9)24-13-12(14(25)22-8(3)21-13)23-15(24)16(18,19)20/h4-7H,1-3H3,(H,21,22,25)