6-chloranyl-9-[[3-(trifluoromethyloxy)phenyl]methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[[3-(trifluoromethyloxy)phenyl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[[3-(trifluoromethoxy)phenyl]methyl]purin-2-amine CAS Name: 6-chloro-9-[[3-(trifluoromethoxy)phenyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[3-(trifluoromethoxy)phenyl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[3-(trifluoromethoxy)benzyl]purin-2-yl]amine Formula: C13H9ClF3N5O MolecularWeight: 343.69167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)(F)F)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

C1=CC(=CC(=C1)OC(F)(F)F)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C13H9ClF3N5O/c14-10-9-11(21-12(18)20-10)22(6-19-9)5-7-2-1-3-8(4-7)23-13(15,16)17/h1-4,6H,5H2,(H2,18,20,21)