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

Systemtic Name: N2-hexyl-N6-[(3-iodanylphenyl)methyl]-9-methyl-purine-2,6-diamine Openeye Name: N2-hexyl-N6-[(3-iodophenyl)methyl]-9-methyl-purine-2,6-diamine CAS Name: N2-hexyl-N6-[(3-iodophenyl)methyl]-9-methylpurine-2,6-diamine IUPAC Name: 2-N-hexyl-6-N-[(3-iodophenyl)methyl]-9-methylpurine-2,6-diamine Traditional Name: hexyl-[6-[(3-iodobenzyl)amino]-9-methyl-purin-2-yl]amine Formula: C19H25IN6 MolecularWeight: 464.34647

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)I)N=CN2C

Isomeric SMILES

CCCCCCNC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)I)N=CN2C

InChI

InChI=1S/C19H25IN6/c1-3-4-5-6-10-21-19-24-17(16-18(25-19)26(2)13-23-16)22-12-14-8-7-9-15(20)11-14/h7-9,11,13H,3-6,10,12H2,1-2H3,(H2,21,22,24,25)