N-[(3-iodanylphenyl)methyl]-9-methyl-purin-6-amine

Systemtic Name: N-[(3-iodanylphenyl)methyl]-9-methyl-purin-6-amine Openeye Name: N-[(3-iodophenyl)methyl]-9-methyl-purin-6-amine CAS Name: N-[(3-iodophenyl)methyl]-9-methyl-6-purinamine IUPAC Name: N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine Traditional Name: (3-iodobenzyl)-(9-methylpurin-6-yl)amine Formula: C13H12IN5 MolecularWeight: 365.17235

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=CN=C2NCC3=CC(=CC=C3)I

Isomeric SMILES

CN1C=NC2=C1N=CN=C2NCC3=CC(=CC=C3)I

InChI

InChI=1S/C13H12IN5/c1-19-8-18-11-12(16-7-17-13(11)19)15-6-9-3-2-4-10(14)5-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)