CHEBI:115113 - 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester
ChEBI ID CHEBI:115113
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H18F2N2O4
Net Charge 0
Average Mass 388.365
Monoisotopic Mass 388.12346
InChI InChI=1S/C20H18F2N2O4/c1-12-16(18(25)27-11-13-7-3-2-4-8-13)17(24-20(26)23-12)14-9-5-6-10-15(14)28-19(21)22/h2-10,17,19H,11H2,1H3,(H2,23,24,26)
InChIKey VRZFQPRZNSDGPI-UHFFFAOYSA-N
SMILES CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC(F)F)C(=O)OCC3=CC=CC=C3
ChEBI Ontology
Outgoing 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester (CHEBI:115113) has functional parent benzyl alcohol (CHEBI:17987)
4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester (CHEBI:115113) is a carboxylic ester (CHEBI:33308)
Manual Xref Database
LSM-26574 LINCS
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