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6-(4-Chlorophenyl)-3-cyano-5-propylamino-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID L0PYmjjSHsQ
InChI InChI=1S/C22H19ClN6O/c1-3-12-25-22-26-19-18(13-24)27-29(17-8-4-14(2)5-9-17)20(19)21(30)28(22)16-10-6-15(23)7-11-16/h4-11H,3,12H2,1-2H3,(H,25,26)
InChIKey ITZWFIWRIHVQIO-UHFFFAOYSA-N
Mol Weight 418.89 g/mol
Molecular Formula C22H19ClN6O
Exact Mass 418.130887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TEkUvZfr5C
Name 6-(4-Chlorophenyl)-3-cyano-5-propylamino-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClN6O
InChI InChI=1S/C22H19ClN6O/c1-3-12-25-22-26-19-18(13-24)27-29(17-8-4-14(2)5-9-17)20(19)21(30)28(22)16-10-6-15(23)7-11-16/h4-11H,3,12H2,1-2H3,(H,25,26)
InChIKey ITZWFIWRIHVQIO-UHFFFAOYSA-N
Molecular Weight 418.888 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccc(cc1)Cl)CCC
SPLASH splash10-00mo-9608200000-f68f9d2c4ba479cc8668
Source of Spectrum F-66-5117-8p
Wiley ID 1683282