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

Systemtic Name: 9-[[5-bromanyl-2-(trifluoromethyloxymethyl)phenyl]methyl]-2-[(4-oxidanylcyclohexyl)methylamino]-7H-purin-8-one Openeye Name: 9-[[5-bromo-2-(trifluoromethoxymethyl)phenyl]methyl]-2-[(4-hydroxycyclohexyl)methylamino]-7H-purin-8-one CAS Name: 9-[[5-bromo-2-(trifluoromethoxymethyl)phenyl]methyl]-2-[(4-hydroxycyclohexyl)methylamino]-7H-purin-8-one IUPAC Name: 9-[[5-bromo-2-(trifluoromethoxymethyl)phenyl]methyl]-2-[(4-hydroxycyclohexyl)methylamino]-7H-purin-8-one Traditional Name: 9-[5-bromo-2-(trifluoromethoxymethyl)benzyl]-2-[(4-hydroxycyclohexyl)methylamino]-7H-purin-8-one Formula: C21H23BrF3N5O3 MolecularWeight: 530.33823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC(=C4)Br)COC(F)(F)F)O

Isomeric SMILES

C1CC(CCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC(=C4)Br)COC(F)(F)F)O

InChI

InChI=1S/C21H23BrF3N5O3/c22-15-4-3-13(11-33-21(23,24)25)14(7-15)10-30-18-17(28-20(30)32)9-27-19(29-18)26-8-12-1-5-16(31)6-2-12/h3-4,7,9,12,16,31H,1-2,5-6,8,10-11H2,(H,28,32)(H,26,27,29)