6-chloranyl-2-iodanyl-9-methyl-8-[3-(trifluoromethyl)phenyl]purine

Systemtic Name: 6-chloranyl-2-iodanyl-9-methyl-8-[3-(trifluoromethyl)phenyl]purine Openeye Name: 6-chloro-2-iodo-9-methyl-8-[3-(trifluoromethyl)phenyl]purine CAS Name: 6-chloro-2-iodo-9-methyl-8-[3-(trifluoromethyl)phenyl]purine IUPAC Name: 6-chloro-2-iodo-9-methyl-8-[3-(trifluoromethyl)phenyl]purine Traditional Name: 6-chloro-2-iodo-9-methyl-8-[3-(trifluoromethyl)phenyl]purine Formula: C13H7ClF3IN4 MolecularWeight: 438.57416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7ClF3IN4/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