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CHEBI:104924 - 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester

ChEBI IDCHEBI:104924
ChEBI Name3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
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DownloadsMolfile
FormulaC19H19F2N3O7
Net Charge0
Average Mass439.371
Monoisotopic Mass439.11911
SMILESCOc1cc(C=CC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OC(F)F
InChIInChI=1S/C19H19F2N3O7/c1-23-16(22)15(17(27)24(2)19(23)28)11(25)9-30-14(26)7-5-10-4-6-12(31-18(20)21)13(8-10)29-3/h4-8,18H,9,22H2,1-3H3
InChIKeyYYOCXODFEFIMFX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester (CHEBI:104924) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
LSM-16287LINCS