2-(2-azanyl-6-iodanyl-purin-9-yl)ethanoic acid

Systemtic Name: 2-(2-azanyl-6-iodanyl-purin-9-yl)ethanoic acid Openeye Name: 2-(2-amino-6-iodo-purin-9-yl)acetic acid CAS Name: 2-(2-amino-6-iodo-9-purinyl)acetic acid IUPAC Name: 2-(2-amino-6-iodopurin-9-yl)acetic acid Traditional Name: 2-(2-amino-6-iodo-purin-9-yl)acetic acid Formula: C7H6IN5O2 MolecularWeight: 319.05931

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(=O)O)N=C(N=C2I)N

Isomeric SMILES

C1=NC2=C(N1CC(=O)O)N=C(N=C2I)N

InChI

InChI=1S/C7H6IN5O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)(H2,9,11,12)