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3-(4-Methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)-1-(pyridin-4-yl)prop-2-en-1-one
SpectraBase Compound ID 38CZgQKGeFt
InChI InChI=1S/C20H16N6O/c1-13-17-19(22-12-9-16(27)14-7-10-21-11-8-14)25-26-20(17)24-18(23-13)15-5-3-2-4-6-15/h2-12H,1H3,(H2,22,23,24,25,26)
InChIKey JEENCSZIBLIVBP-UHFFFAOYSA-N
Mol Weight 356.39 g/mol
Molecular Formula C20H16N6O
Exact Mass 356.138559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Nf2OdSHTB2
Name 3-(4-Methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)-1-(pyridin-4-yl)prop-2-en-1-one
Alternate Name(s) 3-((4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)amino)-1-(pyridin-4-yl)prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N6O
InChI InChI=1S/C20H16N6O/c1-13-17-19(22-12-9-16(27)14-7-10-21-11-8-14)25-26-20(17)24-18(23-13)15-5-3-2-4-6-15/h2-12H,1H3,(H2,22,23,24,25,26)
InChIKey JEENCSZIBLIVBP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200300043
Molecular Weight 356.389 g/mol
SMILES N(c1c2c(nc(nc2n[nH]1)-c1ccccc1)C)C=CC(c1ccncc1)=O
SPLASH splash10-0ufr-3495000000-af53fd32f9a573829b7c
Source of Spectrum QA-50-292-19d
Wiley ID 1795750