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7-chloro-1-methyl-5-[2-ethoxy-5-(4-methylpiperazinylsulphonyl)phenyl]-3-n-propyl-pyrazolo[4,3-d]pyrimidine
SpectraBase Compound ID 5XBvKJLUJux
InChI InChI=1S/C22H29ClN6O3S/c1-5-7-17-19-20(28(4)26-17)21(23)25-22(24-19)16-14-15(8-9-18(16)32-6-2)33(30,31)29-12-10-27(3)11-13-29/h8-9,14H,5-7,10-13H2,1-4H3
InChIKey QNKORMZIEUQTBO-UHFFFAOYSA-N
Mol Weight 493.03 g/mol
Molecular Formula C22H29ClN6O3S
Exact Mass 492.171038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uoEL4027FG
Name 7-chloro-1-methyl-5-[2-ethoxy-5-(4-methylpiperazinylsulphonyl)phenyl]-3-n-propyl-pyrazolo[4,3-d]pyrimidine
Appearance White needle crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29ClN6O3S
InChI InChI=1S/C22H29ClN6O3S/c1-5-7-17-19-20(28(4)26-17)21(23)25-22(24-19)16-14-15(8-9-18(16)32-6-2)33(30,31)29-12-10-27(3)11-13-29/h8-9,14H,5-7,10-13H2,1-4H3
InChIKey QNKORMZIEUQTBO-UHFFFAOYSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Molecular Weight 493.026 g/mol
SMILES c1(S(=O)(=O)N2CCN(CC2)C)ccc(c(-c2nc3c(c(n2)Cl)[n](nc3CCC)C)c1)OCC
SPLASH splash10-0002-9000100000-bc95fc8b940d50a8cbce
Source of Spectrum US20100048897A1
Wiley ID 1842074