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CHEBI:116960 - 2-(6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid

ChEBI IDCHEBI:116960
ChEBI Name2-(6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid
Stars
Last Modified11 May 2016
DownloadsMolfile
FormulaC18H12N4O3S
Net Charge0
Average Mass364.386
Monoisotopic Mass364.06301
SMILESN#CC1=C(N)Oc2nnc(-c3cccs3)c2C1c1ccccc1C(=O)O
InChIInChI=1S/C18H12N4O3S/c19-8-11-13(9-4-1-2-5-10(9)18(23)24)14-15(12-6-3-7-26-12)21-22-17(14)25-16(11)20/h1-7,13H,20H2,(H,21,22)(H,23,24)
InChIKeyMBCDSNRTILSULC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid (CHEBI:116960) is a benzoic acids (CHEBI:22723)
2-(6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid (CHEBI:116960) is a pyranopyrazole (CHEBI:131903)
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