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CHEBI:105522 - 2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester

Default Structure
ChEBI IDCHEBI:105522
ChEBI Name2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester
Stars
Last Modified11 May 2016
DownloadsMolfile
FormulaC18H18N4O3
Net Charge0
Average Mass338.367
Monoisotopic Mass338.13789
SMILESCCc1ccc(C2C(C#N)=C(N)Oc3nnc(CC(=O)OC)c32)cc1
InChIInChI=1S/C18H18N4O3/c1-3-10-4-6-11(7-5-10)15-12(9-19)17(20)25-18-16(15)13(21-22-18)8-14(23)24-2/h4-7,15H,3,8,20H2,1-2H3,(H,21,22)
InChIKeyMAXRLMQGJHWTLO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester (CHEBI:105522) is a benzenes (CHEBI:22712)
2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester (CHEBI:105522) is a pyranopyrazole (CHEBI:131903)
Manual XrefsDatabases
LSM-16885LINCS