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CHEBI:49621 - 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID

Default Structure
ChEBI IDCHEBI:49621
ChEBI Name4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC26H20N2O4
Net Charge0
Average Mass424.456
Monoisotopic Mass424.14231
SMILES[H]OC(=O)c1c([H])c([H])c(C([H])([H])n2c(=O)c3c([H])c(C#CC([H])([H])c4c([H])c([H])c([H])c([H])c4[H])c([H])c([H])c3n(C([H])([H])[H])c2=O)c([H])c1[H]
InChIInChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)
InChIKeyFLTYDFYSVZBKOB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID (CHEBI:49621) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acidPDBeChem
4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACIDPDBeChem
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