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N-(2-ethyl-6-methylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide

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N-(2-ethyl-6-methylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID FELjAJTCwpq
InChI InChI=1S/C22H21N5OS/c1-3-16-9-7-8-15(2)20(16)26-19(28)13-29-22-18-12-25-27(21(18)23-14-24-22)17-10-5-4-6-11-17/h4-12,14H,3,13H2,1-2H3,(H,26,28)
InChIKey YVYVIBNJTPTHEP-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C22H21N5OS
Exact Mass 403.146681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XPovDqH0JE
Name N-(2-Ethyl-6-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 403.146681489 u
Formula C22H21N5OS
InChI InChI=1S/C22H21N5OS/c1-3-16-9-7-8-15(2)20(16)26-19(28)13-29-22-18-12-25-27(21(18)23-14-24-22)17-10-5-4-6-11-17/h4-12,14H,3,13H2,1-2H3,(H,26,28)
InChIKey YVYVIBNJTPTHEP-UHFFFAOYSA-N
Molecular Weight 403.504 g/mol
SMILES N(C=1C(=CC=CC1CC)C)C(CSC=1C2=C(N(N=C2)C2=CC=CC=C2)N=CN1)=O