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CHEBI:121261 - 2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester

ChEBI IDCHEBI:121261
ChEBI Name2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester
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FormulaC16H14BrClN4O4
Net Charge0
Average Mass441.669
Monoisotopic Mass439.98869
SMILESCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O
InChIInChI=1S/C16H14BrClN4O4/c1-20-13-12(14(24)22(16(20)25)8-11(23)26-2)21(15(17)19-13)7-9-5-3-4-6-10(9)18/h3-6H,7-8H2,1-2H3
InChIKeyXXGAOTSQBKOYBL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester (CHEBI:121261) is a α-amino acid ester (CHEBI:46874)
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