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5-Butylamino-3-cyano-6-(4-fluorophenyl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID BpxuNNttyAl
InChI InChI=1S/C23H21FN6O/c1-3-4-13-26-23-27-20-19(14-25)28-30(18-9-5-15(2)6-10-18)21(20)22(31)29(23)17-11-7-16(24)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,26,27)
InChIKey SIQPEFBFELIARV-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 AWhu5VO6tlu
Name 5-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/c1-3-4-13-26-23-27-20-19(14-25)28-30(18-9-5-15(2)6-10-18)21(20)22(31)29(23)17-11-7-16(24)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,26,27)
InChIKey SIQPEFBFELIARV-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)CCCC
SPLASH splash10-014i-4309800000-79060dc265bad4b6aa2b
Source of Spectrum F-66-5117-8j
Synonyms 5-(butylamino)-6-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxo-3-pyrazolo[4,3-d]pyrimidinecarbonitrile 5-(butylamino)-6-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxopyrazolo[4,3-d]pyrimidine-3-carbonitrile 5-(butylamino)-6-(4-fluorophenyl)-7-oxo-1-(p-tolyl)pyrazolo[4,3-d]pyrimidine-3-carbonitrile 5-(butylamino)-6-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxidanylidene-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
Wiley ID 1683288