9-(3-iodanylphenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-(3-iodanylphenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-(3-iodophenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-(3-iodophenyl)-N-methyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-(3-iodophenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(3-iodophenyl)-2-(trifluoromethyl)purin-6-yl]-methyl-amine Formula: C13H9F3IN5 MolecularWeight: 419.14374

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)I)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)I)C(F)(F)F

InChI

InChI=1S/C13H9F3IN5/c1-18-10-9-11(21-12(20-10)13(14,15)16)22(6-19-9)8-4-2-3-7(17)5-8/h2-6H,1H3,(H,18,20,21)