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CHEBI:188618 - 1-Isopropyl-3-(3-pyridinylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

ChEBI IDCHEBI:188618
ChEBI Name1-Isopropyl-3-(3-pyridinylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14N6
Net Charge0
Average Mass278.319
Monoisotopic Mass278.12799
SMILESCC(C)n1nc(C#Cc2cccnc2)c2c(N)ncnc21
InChIInChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19)
InChIKeyNYVMTNNWZOHTJT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
1-Isopropyl-3-(3-pyridinylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CHEBI:188618) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
1-propan-2-yl-3-(2-pyridin-3-ylethynyl)pyrazolo[3,4-d]pyrimidin-4-amine
Manual XrefsDatabases
ZZMPDBeChem
24604326ChemSpider