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

Systemtic Name: 6-chloranyl-9-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]purin-2-amine CAS Name: 6-chloro-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[2-fluoro-3-(trifluoromethyl)benzyl]purin-2-yl]amine Formula: C13H8ClF4N5 MolecularWeight: 345.682733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClF4N5/c14-10-9-11(22-12(19)21-10)23(5-20-9)4-6-2-1-3-7(8(6)15)13(16,17)18/h1-3,5H,4H2,(H2,19,21,22)