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

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N-[1,1'-biphenyl]-2-yl-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID Ew5Ww6iGXZT
InChI InChI=1S/C25H19N5OS/c31-23(29-22-14-8-7-13-20(22)18-9-3-1-4-10-18)16-32-25-21-15-28-30(24(21)26-17-27-25)19-11-5-2-6-12-19/h1-15,17H,16H2,(H,29,31)
InChIKey MOEOGRDISJTPPM-UHFFFAOYSA-N
Mol Weight 437.52 g/mol
Molecular Formula C25H19N5OS
Exact Mass 437.131031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRColdPZnJe
Name N-[1,1'-Biphenyl]-2-yl-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 437.131031425 u
Formula C25H19N5OS
InChI InChI=1S/C25H19N5OS/c31-23(29-22-14-8-7-13-20(22)18-9-3-1-4-10-18)16-32-25-21-15-28-30(24(21)26-17-27-25)19-11-5-2-6-12-19/h1-15,17H,16H2,(H,29,31)
InChIKey MOEOGRDISJTPPM-UHFFFAOYSA-N
Molecular Weight 437.521 g/mol
SMILES N(C1=C(C=2C=CC=CC2)C=CC=C1)C(CSC=1C2=C(N(N=C2)C2=CC=CC=C2)N=CN1)=O