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4-methylbenzyl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide

View entire compound with spectra: 2 NMR

4-methylbenzyl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
SpectraBase Compound ID 70uYyTbhWup
InChI InChI=1S/C19H16N4S/c1-14-7-9-15(10-8-14)12-24-19-17-11-22-23(18(17)20-13-21-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3
InChIKey ZLAHLFIHZYAMSW-UHFFFAOYSA-N
Mol Weight 332.43 g/mol
Molecular Formula C19H16N4S
Exact Mass 332.109568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EP5iGUNxpBb
Name 4-Methylbenzyl 1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl sulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.109567705 u
Formula C19H16N4S
InChI InChI=1S/C19H16N4S/c1-14-7-9-15(10-8-14)12-24-19-17-11-22-23(18(17)20-13-21-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3
InChIKey ZLAHLFIHZYAMSW-UHFFFAOYSA-N
Molecular Weight 332.425 g/mol
SMILES C=1C=CC(N2C3=C(C(SCC4=CC=C(C=C4)C)=NC=N3)C=N2)=CC1