6-chloranyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine

Systemtic Name: 6-chloranyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine Openeye Name: 6-chloro-9-[[4-(trifluoromethyl)phenyl]methyl]purine CAS Name: 6-chloro-9-[[4-(trifluoromethyl)phenyl]methyl]purine IUPAC Name: 6-chloro-9-[[4-(trifluoromethyl)phenyl]methyl]purine Traditional Name: 6-chloro-9-[4-(trifluoromethyl)benzyl]purine Formula: C13H8ClF3N4 MolecularWeight: 312.67763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)C(F)(F)F

InChI

InChI=1S/C13H8ClF3N4/c14-11-10-12(19-6-18-11)21(7-20-10)5-8-1-3-9(4-2-8)13(15,16)17/h1-4,6-7H,5H2