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

View entire compound with spectra: 2 NMR

N-(3-chlorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID AmKunYuE9JM
InChI InChI=1S/C19H14ClN5OS/c20-13-5-4-6-14(9-13)24-17(26)11-27-19-16-10-23-25(18(16)21-12-22-19)15-7-2-1-3-8-15/h1-10,12H,11H2,(H,24,26)
InChIKey HECFCPBBRDHKES-UHFFFAOYSA-N
Mol Weight 395.87 g/mol
Molecular Formula C19H14ClN5OS
Exact Mass 395.060759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIhvBk4yvZb
Name N-(3-Chlorophenyl)-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 395.060758964 u
Formula C19H14ClN5OS
InChI InChI=1S/C19H14ClN5OS/c20-13-5-4-6-14(9-13)24-17(26)11-27-19-16-10-23-25(18(16)21-12-22-19)15-7-2-1-3-8-15/h1-10,12H,11H2,(H,24,26)
InChIKey HECFCPBBRDHKES-UHFFFAOYSA-N
Molecular Weight 395.868 g/mol
SMILES N(C(CSC=1C2=C(N(N=C2)C=2C=CC=CC2)N=CN1)=O)C=1C=C(Cl)C=CC1