2-(6-chloranylpurin-9-yl)ethanoic acid

Systemtic Name: 2-(6-chloranylpurin-9-yl)ethanoic acid Openeye Name: 2-(6-chloropurin-9-yl)acetic acid CAS Name: 2-(6-chloro-9-purinyl)acetic acid IUPAC Name: 2-(6-chloropurin-9-yl)acetic acid Traditional Name: 2-(6-chloropurin-9-yl)acetic acid Formula: C7H5ClN4O2 MolecularWeight: 212.5932

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)Cl)N=CN2CC(=O)O

Isomeric SMILES

C1=NC2=C(C(=N1)Cl)N=CN2CC(=O)O

InChI

InChI=1S/C7H5ClN4O2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(13)14/h2-3H,1H2,(H,13,14)