8-iodanyl-9-methyl-N-phenethyl-6-(trifluoromethyl)purin-2-amine

Systemtic Name: 8-iodanyl-9-methyl-N-phenethyl-6-(trifluoromethyl)purin-2-amine Openeye Name: 8-iodo-9-methyl-N-phenethyl-6-(trifluoromethyl)purin-2-amine CAS Name: 8-iodo-9-methyl-N-phenethyl-6-(trifluoromethyl)-2-purinamine IUPAC Name: 8-iodo-9-methyl-N-phenethyl-6-(trifluoromethyl)purin-2-amine Traditional Name: [8-iodo-9-methyl-6-(trifluoromethyl)purin-2-yl]-phenethyl-amine Formula: C15H13F3IN5 MolecularWeight: 447.1969

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=C2N=C1I)C(F)(F)F)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=NC(=NC(=C2N=C1I)C(F)(F)F)NCCC3=CC=CC=C3

InChI

InChI=1S/C15H13F3IN5/c1-24-12-10(21-13(24)19)11(15(16,17)18)22-14(23-12)20-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,20,22,23)