For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

N-[4-(acetylamino)phenyl]-2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID DNs0HOuNJIj
InChI InChI=1S/C22H20N6O2S/c1-15(29)26-17-7-9-18(10-8-17)27-20(30)13-31-22-19-11-25-28(21(19)23-14-24-22)12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKey RYVWYTXJSBTBBN-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C22H20N6O2S
Exact Mass 432.136845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KPFA02DB0F0
Name N-[4-(Acetylamino)phenyl]-2-[(1-benzyl-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 432.136845080 u
Formula C22H20N6O2S
InChI InChI=1S/C22H20N6O2S/c1-15(29)26-17-7-9-18(10-8-17)27-20(30)13-31-22-19-11-25-28(21(19)23-14-24-22)12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKey RYVWYTXJSBTBBN-UHFFFAOYSA-N
Molecular Weight 432.502 g/mol
SMILES N(C(CSC=1C2=C(N(N=C2)CC2=CC=CC=C2)N=CN1)=O)C1=CC=C(NC(=O)C)C=C1