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3-Cyano-6-(4-fluorophenyl)-5-isopropylamino-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID 2NCEI6v3kgi
InChI InChI=1S/C22H19FN6O/c1-13(2)25-22-26-19-18(12-24)27-29(17-8-4-14(3)5-9-17)20(19)21(30)28(22)16-10-6-15(23)7-11-16/h4-11,13H,1-3H3,(H,25,26)
InChIKey ONZUFLZICCIDLI-UHFFFAOYSA-N
Mol Weight 402.43 g/mol
Molecular Formula C22H19FN6O
Exact Mass 402.160437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pAnQUqTPxh
Name 3-Cyano-6-(4-fluorophenyl)-5-isopropylamino-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19FN6O
InChI InChI=1S/C22H19FN6O/c1-13(2)25-22-26-19-18(12-24)27-29(17-8-4-14(3)5-9-17)20(19)21(30)28(22)16-10-6-15(23)7-11-16/h4-11,13H,1-3H3,(H,25,26)
InChIKey ONZUFLZICCIDLI-UHFFFAOYSA-N
Molecular Weight 402.433 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccc(cc1)F)C(C)C
SPLASH splash10-0zfr-2007900000-a0fe2c15e159f26aa1c1
Source of Spectrum F-66-5117-8o
Wiley ID 1683283