2-chloranyl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine

Systemtic Name: 2-chloranyl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine Openeye Name: 2-chloro-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine CAS Name: 2-chloro-9-[[4-(trifluoromethyl)phenyl]methyl]-6-purinamine IUPAC Name: 2-chloro-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine Traditional Name: [2-chloro-9-[4-(trifluoromethyl)benzyl]purin-6-yl]amine Formula: C13H9ClF3N5 MolecularWeight: 327.69227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3N)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3N)Cl)C(F)(F)F

InChI

InChI=1S/C13H9ClF3N5/c14-12-20-10(18)9-11(21-12)22(6-19-9)5-7-1-3-8(4-2-7)13(15,16)17/h1-4,6H,5H2,(H2,18,20,21)