For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-(3-chloro-4-fluorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-(3-chloro-4-fluorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID 3qQFt4F15bQ
InChI InChI=1S/C20H15ClFN5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-13-4-7-17(22)16(21)8-13/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey PPMQXDSWJJSKQW-UHFFFAOYSA-N
Mol Weight 427.89 g/mol
Molecular Formula C20H15ClFN5OS
Exact Mass 427.066987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Egojqm8fl9O
Name N-(3-Chloro-4-fluorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.066987159 u
Formula C20H15ClFN5OS
InChI InChI=1S/C20H15ClFN5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-13-4-7-17(22)16(21)8-13/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey PPMQXDSWJJSKQW-UHFFFAOYSA-N
Molecular Weight 427.885 g/mol
SMILES N(C(CSC=1C2=C(N(N=C2)C2=CC=C(C=C2)C)N=CN1)=O)C1=CC(Cl)=C(C=C1)F