N6-[(3-iodanylphenyl)methyl]-N2,9-dimethyl-purine-2,6-diamine

Systemtic Name: N6-[(3-iodanylphenyl)methyl]-N2,9-dimethyl-purine-2,6-diamine Openeye Name: N6-[(3-iodophenyl)methyl]-N2,9-dimethyl-purine-2,6-diamine CAS Name: N6-[(3-iodophenyl)methyl]-N2,9-dimethylpurine-2,6-diamine IUPAC Name: 6-N-[(3-iodophenyl)methyl]-2-N,9-dimethylpurine-2,6-diamine Traditional Name: (3-iodobenzyl)-[9-methyl-2-(methylamino)purin-6-yl]amine Formula: C14H15IN6 MolecularWeight: 394.21357

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)I)N=CN2C

Isomeric SMILES

CNC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)I)N=CN2C

InChI

InChI=1S/C14H15IN6/c1-16-14-19-12(11-13(20-14)21(2)8-18-11)17-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,16,17,19,20)