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

Systemtic Name: 2-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]ethanoic acid Openeye Name: 2-[6-[(3-iodophenyl)methylamino]purin-9-yl]acetic acid CAS Name: 2-[6-[(3-iodophenyl)methylamino]-9-purinyl]acetic acid IUPAC Name: 2-[6-[(3-iodophenyl)methylamino]purin-9-yl]acetic acid Traditional Name: 2-[6-[(3-iodobenzyl)amino]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)CNC2=NC=NC3=C2N=CN3CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC2=NC=NC3=C2N=CN3CC(=O)O

InChI

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