1-(biphenyl-4-yl)-3-(4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)prop-2-en-1-one

SpectraBase Compound ID	DWSJUIupjyp
InChI	InChI=1S/C27H21N5O/c1-18-24-26(31-32-27(24)30-25(29-18)22-10-6-3-7-11-22)28-17-16-23(33)21-14-12-20(13-15-21)19-8-4-2-5-9-19/h2-17H,1H3,(H2,28,29,30,31,32)
InChIKey	MLMDJYCVVNWMFX-UHFFFAOYSA-N Google Search
Mol Weight	431.5 g/mol
Molecular Formula	C27H21N5O
Exact Mass	431.17461 g/mol

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SpectraBase Spectrum ID	Gsf4XlXfNuR
Name	1-(biphenyl-4-yl)-3-(4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)prop-2-en-1-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H21N5O
InChI	InChI=1S/C27H21N5O/c1-18-24-26(31-32-27(24)30-25(29-18)22-10-6-3-7-11-22)28-17-16-23(33)21-14-12-20(13-15-21)19-8-4-2-5-9-19/h2-17H,1H3,(H2,28,29,30,31,32)
InChIKey	MLMDJYCVVNWMFX-UHFFFAOYSA-N
Literature Reference DOI	10.1002/jccs.200300043
Molecular Weight	431.499 g/mol
SMILES	[nH]1c(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c2c(n1)nc(-c1ccccc1)nc2C
SPLASH	splash10-0udi-1793100000-1e55e25f3407dac95a58
Source of Spectrum	QA-50-292-19e
Synonyms	1-([1,1'-biphenyl]-4-yl)-3-((4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)amino)prop-2-en-1-one
Wiley ID	1795751