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Alkylation of 6-chloropurine using ethyl bromoacetate gives a mixture of regioisomers from which the title compound, C9H9ClN4O2, was isolated in crystalline form. The ethyl acetate fragment attached at N7 avoids steric hindrance by emerging from the ring almost orthogonally. Two ring C atoms donate weak intermolecular hydrogen bonds to the carbonyl O12 and ring N3 atoms.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks ha1208, global

sft

Structure factor file (SHELXL table format)
Supplementary material

CCDC reference: 130401

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