6-[(3-iodanylphenyl)methyl]-9-propyl-purin-2-amine

Systemtic Name: 6-[(3-iodanylphenyl)methyl]-9-propyl-purin-2-amine Openeye Name: 6-[(3-iodophenyl)methyl]-9-propyl-purin-2-amine CAS Name: 6-[(3-iodophenyl)methyl]-9-propyl-2-purinamine IUPAC Name: 6-[(3-iodophenyl)methyl]-9-propylpurin-2-amine Traditional Name: [6-(3-iodobenzyl)-9-propyl-purin-2-yl]amine Formula: C15H16IN5 MolecularWeight: 393.22551

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C(N=C(N=C21)N)CC3=CC(=CC=C3)I

Isomeric SMILES

CCCN1C=NC2=C(N=C(N=C21)N)CC3=CC(=CC=C3)I

InChI

InChI=1S/C15H16IN5/c1-2-6-21-9-18-13-12(19-15(17)20-14(13)21)8-10-4-3-5-11(16)7-10/h3-5,7,9H,2,6,8H2,1H3,(H2,17,19,20)