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4-methylbenzyl 1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide

View entire compound with spectra: 2 NMR

4-methylbenzyl 1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
SpectraBase Compound ID 9kl27321B6F
InChI InChI=1S/C20H18N4S/c1-14-3-7-16(8-4-14)12-25-20-18-11-23-24(19(18)21-13-22-20)17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3
InChIKey FMOWRWARZPTVDZ-UHFFFAOYSA-N
Mol Weight 346.45 g/mol
Molecular Formula C20H18N4S
Exact Mass 346.125218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CanV4n39iQl
Name 4-Methylbenzyl 1-(4-methylphenyl)-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 346.125217770 u
Formula C20H18N4S
InChI InChI=1S/C20H18N4S/c1-14-3-7-16(8-4-14)12-25-20-18-11-23-24(19(18)21-13-22-20)17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3
InChIKey FMOWRWARZPTVDZ-UHFFFAOYSA-N
Molecular Weight 346.452 g/mol
SMILES CC=1C=CC(CSC=2C3=C(N(N=C3)C=3C=CC(=CC3)C)N=CN2)=CC1