EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:104942 - 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester

ChEBI IDCHEBI:104942
ChEBI Name3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC23H27N5O5
Net Charge0
Average Mass453.499
Monoisotopic Mass453.20122
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C23H27N5O5/c1-13(2)11-27-20(24)19(21(30)26(5)23(27)32)17(29)12-33-22(31)18-14(3)25-28(15(18)4)16-9-7-6-8-10-16/h6-10,13H,11-12,24H2,1-5H3
InChIKeyNACPWEHVMXMKDT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester (CHEBI:104942) is a pyrazoles (CHEBI:26410)
3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester (CHEBI:104942) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-16305LINCS