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3-Cyano-6-(4-fluorophenyl)-5-(piperidin-1-yl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID 9i8yx5jruz
InChI InChI=1S/C24H21FN6O/c1-16-5-9-19(10-6-16)31-22-21(20(15-26)28-31)27-24(29-13-3-2-4-14-29)30(23(22)32)18-11-7-17(25)8-12-18/h5-12H,2-4,13-14H2,1H3
InChIKey ZNHKRCXXRXYPIM-UHFFFAOYSA-N
Mol Weight 428.47 g/mol
Molecular Formula C24H21FN6O
Exact Mass 428.176087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tpZY3nLYBp
Name 3-Cyano-6-(4-fluorophenyl)-5-(piperidin-1-yl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21FN6O
InChI InChI=1S/C24H21FN6O/c1-16-5-9-19(10-6-16)31-22-21(20(15-26)28-31)27-24(29-13-3-2-4-14-29)30(23(22)32)18-11-7-17(25)8-12-18/h5-12H,2-4,13-14H2,1H3
InChIKey ZNHKRCXXRXYPIM-UHFFFAOYSA-N
Molecular Weight 428.471 g/mol
SMILES c12c(N=C(N(C2=O)c2ccc(cc2)F)N2CCCCC2)c(C#N)n[n]1-c1ccc(cc1)C
SPLASH splash10-004i-0100900000-3baf8b043e7aa7c8762e
Source of Spectrum F-66-5118-8G
Wiley ID 1683269