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

Systemtic Name: 2-[(4-aminophenyl)methylamino]-9-[[5-bromanyl-2-(trifluoromethyloxy)phenyl]methyl]-7H-purin-8-one Openeye Name: 2-[(4-aminophenyl)methylamino]-9-[[5-bromo-2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one CAS Name: 2-[(4-aminophenyl)methylamino]-9-[[5-bromo-2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one IUPAC Name: 2-[(4-aminophenyl)methylamino]-9-[[5-bromo-2-(trifluoromethoxy)phenyl]methyl]-7H-purin-8-one Traditional Name: 2-[(4-aminobenzyl)amino]-9-[5-bromo-2-(trifluoromethoxy)benzyl]-7H-purin-8-one Formula: C20H16BrF3N6O2 MolecularWeight: 509.27925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC(=C4)Br)OC(F)(F)F)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC(=C4)Br)OC(F)(F)F)N

InChI

InChI=1S/C20H16BrF3N6O2/c21-13-3-6-16(32-20(22,23)24)12(7-13)10-30-17-15(28-19(30)31)9-27-18(29-17)26-8-11-1-4-14(25)5-2-11/h1-7,9H,8,10,25H2,(H,28,31)(H,26,27,29)