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5-tert-Butylamino-3-cyano-6-(4-fluorophenyl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID 42y58Pd1jEb
InChI InChI=1S/C23H21FN6O/c1-14-5-9-17(10-6-14)30-20-19(18(13-25)28-30)26-22(27-23(2,3)4)29(21(20)31)16-11-7-15(24)8-12-16/h5-12H,1-4H3,(H,26,27)
InChIKey JRCHHZJGHOEIPE-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C23H21FN6O
Exact Mass 416.176087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8q630uye0
Name 5-tert-Butylamino-3-cyano-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 C23H21FN6O
InChI InChI=1S/C23H21FN6O/c1-14-5-9-17(10-6-14)30-20-19(18(13-25)28-30)26-22(27-23(2,3)4)29(21(20)31)16-11-7-15(24)8-12-16/h5-12H,1-4H3,(H,26,27)
InChIKey JRCHHZJGHOEIPE-UHFFFAOYSA-N
Molecular Weight 416.460 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)C
SPLASH splash10-0900-2009200000-746bb1c638edc0e86b72
Source of Spectrum F-66-5117-8l
Wiley ID 1683286