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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > amino-acid ester > alpha-amino acid ester > 2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester
... > organooxygen compound > carbonyl compound > carboxylic ester > amino-acid ester > alpha-amino acid ester > 2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino-acid ester > alpha-amino acid ester > 2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester

Preferred term

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

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C16H14BrClN4O4

inchi

  • InChI=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

inchikey

  • XXGAOTSQBKOYBL-UHFFFAOYSA-N

mass

  • 441.664

monoisotopicmass

  • 439.98870

smiles

  • CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)Br)CC3=CC=CC=C3Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121261

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