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6-(4-Chlorophenyl)-3-cyano-5-(piperidin-1-yl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID FgmFVb4LRgJ
InChI InChI=1S/C24H21ClN6O/c1-16-5-9-19(10-6-16)31-22-21(20(15-26)28-31)27-24(29-13-3-2-4-14-29)30(23(22)32)18-11-7-17(25)8-12-18/h5-12H,2-4,13-14H2,1H3
InChIKey GGGBQLAYSPQRKB-UHFFFAOYSA-N
Mol Weight 444.93 g/mol
Molecular Formula C24H21ClN6O
Exact Mass 444.146537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62abcs8tSes
Name 6-(4-Chlorophenyl)-3-cyano-5-(piperidin-1-yl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21ClN6O
InChI InChI=1S/C24H21ClN6O/c1-16-5-9-19(10-6-16)31-22-21(20(15-26)28-31)27-24(29-13-3-2-4-14-29)30(23(22)32)18-11-7-17(25)8-12-18/h5-12H,2-4,13-14H2,1H3
InChIKey GGGBQLAYSPQRKB-UHFFFAOYSA-N
Molecular Weight 444.926 g/mol
SMILES c12c(N=C(N(C2=O)c2ccc(cc2)Cl)N2CCCCC2)c(C#N)n[n]1-c1ccc(cc1)C
SPLASH splash10-0006-2100900000-6e67a4823bcb723c6bd3
Source of Spectrum F-66-5119-8M
Wiley ID 1683263