N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-iodanyl-9-propan-2-yl-purin-6-amine

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-iodanyl-9-propan-2-yl-purin-6-amine Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-iodo-9-isopropyl-purin-6-amine CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-iodo-9-propan-2-yl-6-purinamine IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-iodo-9-propan-2-ylpurin-6-amine Traditional Name: [3,5-bis(trifluoromethyl)benzyl]-(2-iodo-9-isopropyl-purin-6-yl)amine Formula: C17H14F6IN5 MolecularWeight: 529.221449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F6IN5/c1-8(2)29-7-26-12-13(27-15(24)28-14(12)29)25-6-9-3-10(16(18,19)20)5-11(4-9)17(21,22)23/h3-5,7-8H,6H2,1-2H3,(H,25,27,28)