CHEBI:63092 - methyl purine-6-carboxylate

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ChEBI Name methyl purine-6-carboxylate ChEBI ID CHEBI:63092 Definition A methyl ester that is purine bearing a methoxycarbonyl substituent at position 6. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H6N4O2 Net Charge 0 Average Mass 178.14810 Monoisotopic Mass 178.04908 InChI InChI=1S/C7H6N4O2/c1-13-7(12)5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H,8,9,10,11) InChIKey HILMMWCZVHCJNL-UHFFFAOYSA-N SMILES COC(=O)c1ncnc2[nH]cnc12 ChEBI Ontology Outgoing methyl purine-6-carboxylate (CHEBI:63092) is a methyl ester (CHEBI:25248) methyl purine-6-carboxylate (CHEBI:63092) is a purines (CHEBI:26401) IUPAC Name methyl 9H-purine-6-carboxylate Synonym Source purine-6-caboxylic acid methyl ester ChEBI Registry Number Type Source 521857 Reaxys Registry Number Reaxys Citation Type Source 14253484 PubMed citation Europe PMC Last Modified 06 March 2015