2-iodanyl-9-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine

Systemtic Name: 2-iodanyl-9-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine Openeye Name: 2-iodo-9-isopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine CAS Name: 2-iodo-9-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-6-purinamine IUPAC Name: 2-iodo-9-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine Traditional Name: (2-iodo-9-isopropyl-purin-6-yl)-[4-(trifluoromethyl)benzyl]amine Formula: C16H15F3IN5 MolecularWeight: 461.22348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(F)(F)F)I

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(F)(F)F)I

InChI

InChI=1S/C16H15F3IN5/c1-9(2)25-8-22-12-13(23-15(20)24-14(12)25)21-7-10-3-5-11(6-4-10)16(17,18)19/h3-6,8-9H,7H2,1-2H3,(H,21,23,24)