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

Systemtic Name: N-[(3-iodanylphenyl)methyl]-9-propyl-purin-2-amine dihydrochloride Openeye Name: N-[(3-iodophenyl)methyl]-9-propyl-purin-2-amine dihydrochloride CAS Name: N-[(3-iodophenyl)methyl]-9-propyl-2-purinamine dihydrochloride IUPAC Name: N-[(3-iodophenyl)methyl]-9-propylpurin-2-amine dihydrochloride Traditional Name: (3-iodobenzyl)-(9-propylpurin-2-yl)amine dihydrochloride Formula: C15H18Cl2IN5 MolecularWeight: 466.14739

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=CN=C(N=C21)NCC3=CC(=CC=C3)I.Cl.Cl

Isomeric SMILES

CCCN1C=NC2=CN=C(N=C21)NCC3=CC(=CC=C3)I.Cl.Cl

InChI

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