9-[[5-bromanyl-2-(trifluoromethyloxy)phenyl]methyl]-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-7H-purin-8-one

Systemtic Name: 9-[[5-bromanyl-2-(trifluoromethyloxy)phenyl]methyl]-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-7H-purin-8-one Openeye Name: 9-[[5-bromo-2-(trifluoromethoxy)phenyl]methyl]-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-7H-purin-8-one CAS Name: 9-[[5-bromo-2-(trifluoromethoxy)phenyl]methyl]-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-7H-purin-8-one IUPAC Name: 9-[[5-bromo-2-(trifluoromethoxy)phenyl]methyl]-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-7H-purin-8-one Traditional Name: 9-[5-bromo-2-(trifluoromethoxy)benzyl]-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-7H-purin-8-one Formula: C18H15BrF3N7O2 MolecularWeight: 498.25661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC(=C4)Br)OC(F)(F)F

Isomeric SMILES

CC1=C(N=CN1)CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC(=C4)Br)OC(F)(F)F

InChI

InChI=1S/C18H15BrF3N7O2/c1-9-12(26-8-25-9)5-23-16-24-6-13-15(28-16)29(17(30)27-13)7-10-4-11(19)2-3-14(10)31-18(20,21)22/h2-4,6,8H,5,7H2,1H3,(H,25,26)(H,27,30)(H,23,24,28)