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N-(4-fluorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-(4-fluorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID EhbqvcXMyUd
InChI InChI=1S/C19H14FN5OS/c20-13-6-8-14(9-7-13)24-17(26)11-27-19-16-10-23-25(18(16)21-12-22-19)15-4-2-1-3-5-15/h1-10,12H,11H2,(H,24,26)
InChIKey NNXIPEQJLRHXQX-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C19H14FN5OS
Exact Mass 379.090309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgWawzoHICG
Name N-(4-Fluorophenyl)-2-[(1-phenyl-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 379.090309427 u
Formula C19H14FN5OS
InChI InChI=1S/C19H14FN5OS/c20-13-6-8-14(9-7-13)24-17(26)11-27-19-16-10-23-25(18(16)21-12-22-19)15-4-2-1-3-5-15/h1-10,12H,11H2,(H,24,26)
InChIKey NNXIPEQJLRHXQX-UHFFFAOYSA-N
Molecular Weight 379.413 g/mol
SMILES N(C(CSC=1C2=C(N(N=C2)C2=CC=CC=C2)N=CN1)=O)C=1C=CC(=CC1)F