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3-Cyano-5-cyclohexylamino-6-(4-fluorophenyl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID 584TGqq7aHW
InChI InChI=1S/C25H23FN6O/c1-16-7-11-20(12-8-16)32-23-22(21(15-27)30-32)29-25(28-18-5-3-2-4-6-18)31(24(23)33)19-13-9-17(26)10-14-19/h7-14,18H,2-6H2,1H3,(H,28,29)
InChIKey PRSDWKXGJNMGLM-UHFFFAOYSA-N
Mol Weight 442.5 g/mol
Molecular Formula C25H23FN6O
Exact Mass 442.191738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXgAiFJGS2X
Name 3-Cyano-5-cyclohexylamino-6-(4-fluorophenyl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23FN6O
InChI InChI=1S/C25H23FN6O/c1-16-7-11-20(12-8-16)32-23-22(21(15-27)30-32)29-25(28-18-5-3-2-4-6-18)31(24(23)33)19-13-9-17(26)10-14-19/h7-14,18H,2-6H2,1H3,(H,28,29)
InChIKey PRSDWKXGJNMGLM-UHFFFAOYSA-N
Molecular Weight 442.498 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccc(cc1)F)C1CCCCC1
SPLASH splash10-0di0-1009000000-d1fc0fabd1f6528b698c
Source of Spectrum F-66-5117-8k
Wiley ID 1683287