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N-(4-methylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID 9pv8AtfxFzi
InChI InChI=1S/C20H17N5OS/c1-14-7-9-15(10-8-14)24-18(26)12-27-20-17-11-23-25(19(17)21-13-22-20)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,24,26)
InChIKey VPMXMBDXVCADBW-UHFFFAOYSA-N
Mol Weight 375.45 g/mol
Molecular Formula C20H17N5OS
Exact Mass 375.115381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sODCkLU29S
Name N-(4-Methylphenyl)-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 375.115381360 u
Formula C20H17N5OS
InChI InChI=1S/C20H17N5OS/c1-14-7-9-15(10-8-14)24-18(26)12-27-20-17-11-23-25(19(17)21-13-22-20)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,24,26)
InChIKey VPMXMBDXVCADBW-UHFFFAOYSA-N
Molecular Weight 375.450 g/mol
SMILES N(C(CSC=1C2=C(N(N=C2)C=2C=CC=CC2)N=CN1)=O)C=1C=CC(=CC1)C