6-chloranyl-9-[[3-(trifluoromethyloxy)phenyl]methyl]purine

Systemtic Name: 6-chloranyl-9-[[3-(trifluoromethyloxy)phenyl]methyl]purine Openeye Name: 6-chloro-9-[[3-(trifluoromethoxy)phenyl]methyl]purine CAS Name: 6-chloro-9-[[3-(trifluoromethoxy)phenyl]methyl]purine IUPAC Name: 6-chloro-9-[[3-(trifluoromethoxy)phenyl]methyl]purine Traditional Name: 6-chloro-9-[3-(trifluoromethoxy)benzyl]purine Formula: C13H8ClF3N4O MolecularWeight: 328.67703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)(F)F)CN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

C1=CC(=CC(=C1)OC(F)(F)F)CN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C13H8ClF3N4O/c14-11-10-12(19-6-18-11)21(7-20-10)5-8-2-1-3-9(4-8)22-13(15,16)17/h1-4,6-7H,5H2