CHEBI:105573 - 3-methyl-2-benzofurancarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methyl-2-benzofurancarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
ChEBI ID CHEBI:105573
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H23N3O6
Net Charge 0
Average Mass 413.425
Monoisotopic Mass 413.15869
InChI InChI=1S/C21H23N3O6/c1-11(2)9-24-18(22)16(19(26)23(4)21(24)28)14(25)10-29-20(27)17-12(3)13-7-5-6-8-15(13)30-17/h5-8,11H,9-10,22H2,1-4H3
InChIKey ATZFJFSDKLYBSV-UHFFFAOYSA-N
SMILES CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N
ChEBI Ontology
Outgoing 3-methyl-2-benzofurancarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester (CHEBI:105573) is a benzofurans (CHEBI:35259)
Manual Xref Database
LSM-16936 LINCS
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