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2-[6-azanyl-2-[(3-iodanylphenyl)methyl]purin-9-yl]ethanol

2-[6-azanyl-2-[(3-iodanylphenyl)methyl]purin-9-yl]ethanol

Systemtic Name:2-[6-azanyl-2-[(3-iodanylphenyl)methyl]purin-9-yl]ethanol
Openeye Name:2-[6-amino-2-[(3-iodophenyl)methyl]purin-9-yl]ethanol
CAS Name:2-[6-amino-2-[(3-iodophenyl)methyl]-9-purinyl]ethanol
IUPAC Name:2-[6-amino-2-[(3-iodophenyl)methyl]purin-9-yl]ethanol
Traditional Name:2-[6-amino-2-(3-iodobenzyl)purin-9-yl]ethanol
Formula: C14H14IN5O
MolecularWeight: 395.19833
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CC2=NC3=C(C(=N2)N)N=CN3CCO


Isomeric SMILES

C1=CC(=CC(=C1)I)CC2=NC3=C(C(=N2)N)N=CN3CCO


InChI

InChI=1S/C14H14IN5O/c15-10-3-1-2-9(6-10)7-11-18-13(16)12-14(19-11)20(4-5-21)8-17-12/h1-3,6,8,21H,4-5,7H2,(H2,16,18,19)


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