CHEBI:107771 - 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester

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ChEBI Name 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester
ChEBI ID CHEBI:107771
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H13ClFN3O3
Net Charge 0
Average Mass 349.745
Monoisotopic Mass 349.06295
InChI InChI=1S/C16H13ClFN3O3/c1-8-11(5-9-3-4-10(18)6-13(9)17)15(22)21-14(20-8)12(7-19-21)16(23)24-2/h3-4,6-7,19H,5H2,1-2H3
InChIKey MHMYSGCTYIOPLI-UHFFFAOYSA-N
SMILES CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)OC)CC3=C(C=C(C=C3)F)Cl
ChEBI Ontology
Outgoing 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester (CHEBI:107771) is a pyrazolopyrimidine (CHEBI:38669)
Manual Xref Database
LSM-19148 LINCS
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