6-chloranyl-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-amine Openeye Name: 6-chloro-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-amine CAS Name: 6-chloro-9-methyl-8-[3-(trifluoromethyl)phenyl]-2-purinamine IUPAC Name: 6-chloro-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-amine Traditional Name: [6-chloro-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]amine Formula: C13H9ClF3N5 MolecularWeight: 327.69227

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)N)Cl)N=C1C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)N)Cl)N=C1C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C13H9ClF3N5/c1-22-10(6-3-2-4-7(5-6)13(15,16)17)19-8-9(14)20-12(18)21-11(8)22/h2-5H,1H3,(H2,18,20,21)