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2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide

View entire compound with spectra: 2 NMR

2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
SpectraBase Compound ID dK8PkHhr9j
InChI InChI=1S/C17H18ClN5OS/c1-3-22(4-2)15(24)10-25-17-14-9-21-23(16(14)19-11-20-17)13-7-5-12(18)6-8-13/h5-9,11H,3-4,10H2,1-2H3
InChIKey BPWMVEJASIRPHS-UHFFFAOYSA-N
Mol Weight 375.88 g/mol
Molecular Formula C17H18ClN5OS
Exact Mass 375.092059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32wStxEolS6
Name 2-{[1-(4-Chlorophenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.092059093 u
Formula C17H18ClN5OS
InChI InChI=1S/C17H18ClN5OS/c1-3-22(4-2)15(24)10-25-17-14-9-21-23(16(14)19-11-20-17)13-7-5-12(18)6-8-13/h5-9,11H,3-4,10H2,1-2H3
InChIKey BPWMVEJASIRPHS-UHFFFAOYSA-N
Molecular Weight 375.878 g/mol
SMILES CCN(C(CSC=1C2=C(N(N=C2)C=2C=CC(=CC2)Cl)N=CN1)=O)CC