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3-(4-Methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)-1-phenylprop-2-en-1-one
SpectraBase Compound ID Kz3NEVhGuXE
InChI InChI=1S/C21H17N5O/c1-14-18-20(22-13-12-17(27)15-8-4-2-5-9-15)25-26-21(18)24-19(23-14)16-10-6-3-7-11-16/h2-13H,1H3,(H2,22,23,24,25,26)
InChIKey QKNOBINQGJVDSR-UHFFFAOYSA-N
Mol Weight 355.4 g/mol
Molecular Formula C21H17N5O
Exact Mass 355.14331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FZyKmw4vrV
Name 3-(4-Methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)-1-phenylprop-2-en-1-one
Alternate Name(s) 3-((4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)amino)-1-phenylprop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O
InChI InChI=1S/C21H17N5O/c1-14-18-20(22-13-12-17(27)15-8-4-2-5-9-15)25-26-21(18)24-19(23-14)16-10-6-3-7-11-16/h2-13H,1H3,(H2,22,23,24,25,26)
InChIKey QKNOBINQGJVDSR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200300043
Molecular Weight 355.401 g/mol
SMILES N(c1c2c(nc(nc2n[nH]1)-c1ccccc1)C)C=CC(c1ccccc1)=O
SPLASH splash10-0pdi-5597000000-fcc07b3a1c636e4f40a3
Source of Spectrum QA-50-292-19a
Wiley ID 1795747