N6-[(3-iodanylphenyl)methyl]-9-methyl-purine-2,6-diamine

Systemtic Name: N6-[(3-iodanylphenyl)methyl]-9-methyl-purine-2,6-diamine Openeye Name: N6-[(3-iodophenyl)methyl]-9-methyl-purine-2,6-diamine CAS Name: N6-[(3-iodophenyl)methyl]-9-methylpurine-2,6-diamine IUPAC Name: 6-N-[(3-iodophenyl)methyl]-9-methylpurine-2,6-diamine Traditional Name: (2-amino-9-methyl-purin-6-yl)-(3-iodobenzyl)amine Formula: C13H13IN6 MolecularWeight: 380.18699

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)N

Isomeric SMILES

CN1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)N

InChI

InChI=1S/C13H13IN6/c1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H3,15,16,18,19)