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CHEBI:119911 - 6-cyano-1-(2-methylphenyl)-7-(4-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester

ChEBI IDCHEBI:119911
ChEBI Name6-cyano-1-(2-methylphenyl)-7-(4-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC23H19N5O3
Net Charge0
Average Mass413.437
Monoisotopic Mass413.14879
SMILESCCOC(=O)c1nn(-c2ccccc2C)c2nc(-c3ccc(C)cc3)c(C#N)c(=O)n12
InChIInChI=1S/C23H19N5O3/c1-4-31-22(30)20-26-28(18-8-6-5-7-15(18)3)23-25-19(16-11-9-14(2)10-12-16)17(13-24)21(29)27(20)23/h5-12H,4H2,1-3H3
InChIKeyWNACGRHPAGFFFN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-cyano-1-(2-methylphenyl)-7-(4-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester (CHEBI:119911) is a pyrimidines (CHEBI:39447)
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LSM-31355LINCS