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5-Butylamino-3-cyano-6-phenyl-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID 7I7qOYJ6np0
InChI InChI=1S/C23H22N6O/c1-3-4-14-25-23-26-20-19(15-24)27-29(18-12-10-16(2)11-13-18)21(20)22(30)28(23)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,25,26)
InChIKey HKWBXIMPXSRYEQ-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C23H22N6O
Exact Mass 398.185509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7ensFBrl1F
Name 5-Butylamino-3-cyano-6-phenyl-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N6O
InChI InChI=1S/C23H22N6O/c1-3-4-14-25-23-26-20-19(15-24)27-29(18-12-10-16(2)11-13-18)21(20)22(30)28(23)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,25,26)
InChIKey HKWBXIMPXSRYEQ-UHFFFAOYSA-N
Molecular Weight 398.470 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccccc1)CCCC
SPLASH splash10-0007-3209000000-5d5bfa099e1703ddacbd
Source of Spectrum F-66-5116-8b
Wiley ID 1683296