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6-Benzyl-1-[4'-ethyl-(1,1'-biphenyl)-4-yl]-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SpectraBase Compound ID BWs4jkmoDBI
InChI InChI=1S/C27H25N5/c1-3-19-9-11-21(12-10-19)22-13-15-23(16-14-22)32-27-25(18(2)31-32)26(28)29-24(30-27)17-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3,(H2,28,29,30)
InChIKey TXCBHFQWALPCTP-UHFFFAOYSA-N
Mol Weight 419.53 g/mol
Molecular Formula C27H25N5
Exact Mass 419.210996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nqq4ci5dOG
Name 6-Benzyl-1-[4'-ethyl-(1,1'-biphenyl)-4-yl]-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N5
InChI InChI=1S/C27H25N5/c1-3-19-9-11-21(12-10-19)22-13-15-23(16-14-22)32-27-25(18(2)31-32)26(28)29-24(30-27)17-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3,(H2,28,29,30)
InChIKey TXCBHFQWALPCTP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900296
Molecular Weight 419.532 g/mol
SMILES Nc1c2c(nc(n1)Cc1ccccc1)[n](nc2C)-c1ccc(cc1)-c1ccc(cc1)CC
SPLASH splash10-014i-0100900000-00e7185e242b11122f7e
Source of Spectrum APC-353-SM9-PP-33d
Wiley ID 1839643