2-(8-azanyl-6-iodanyl-2-phenylmethoxycarbonyl-purin-9-yl)ethanoic acid

Systemtic Name: 2-(8-azanyl-6-iodanyl-2-phenylmethoxycarbonyl-purin-9-yl)ethanoic acid Openeye Name: 2-(8-amino-2-benzyloxycarbonyl-6-iodo-purin-9-yl)acetic acid CAS Name: 2-(8-amino-6-iodo-2-phenylmethoxycarbonyl-9-purinyl)acetic acid IUPAC Name: 2-(8-amino-6-iodo-2-phenylmethoxycarbonylpurin-9-yl)acetic acid Traditional Name: 2-(8-amino-2-carbobenzoxy-6-iodo-purin-9-yl)acetic acid Formula: C15H12IN5O4 MolecularWeight: 453.19135

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C(=N2)I)N=C(N3CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C(=N2)I)N=C(N3CC(=O)O)N

InChI

InChI=1S/C15H12IN5O4/c16-11-10-13(21(6-9(22)23)15(17)18-10)20-12(19-11)14(24)25-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,17,18)(H,22,23)