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

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

Systemtic Name:2-[6-azanyl-2-[(3-iodanylphenyl)methyl]purin-9-yl]ethanoic acid
Openeye Name:2-[6-amino-2-[(3-iodophenyl)methyl]purin-9-yl]acetic acid
CAS Name:2-[6-amino-2-[(3-iodophenyl)methyl]-9-purinyl]acetic acid
IUPAC Name:2-[6-amino-2-[(3-iodophenyl)methyl]purin-9-yl]acetic acid
Traditional Name:2-[6-amino-2-(3-iodobenzyl)purin-9-yl]acetic acid
Formula: C14H12IN5O2
MolecularWeight: 409.18185
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CC2=NC3=C(C(=N2)N)N=CN3CC(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)I)CC2=NC3=C(C(=N2)N)N=CN3CC(=O)O


InChI

InChI=1S/C14H12IN5O2/c15-9-3-1-2-8(4-9)5-10-18-13(16)12-14(19-10)20(7-17-12)6-11(21)22/h1-4,7H,5-6H2,(H,21,22)(H2,16,18,19)


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