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7-(4-chlorobenzyl)-8-(isopropylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-(4-chlorobenzyl)-8-(isopropylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 8sOFnQPIr5h
InChI InChI=1S/C17H19ClN4O2S/c1-10(2)25-16-19-14-13(15(23)21(4)17(24)20(14)3)22(16)9-11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey XPGLYJHLTQRIPH-UHFFFAOYSA-N
Mol Weight 378.88 g/mol
Molecular Formula C17H19ClN4O2S
Exact Mass 378.091725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FR6AtRrMImn
Name 7-(4-chlorobenzyl)-8-(isopropylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H19ClN4O2S/c1-10(2)25-16-19-14-13(15(23)21(4)17(24)20(14)3)22(16)9-11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey XPGLYJHLTQRIPH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20210
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D16395; Labnumber: UZROM-3517; SBI_ID: SBI-020214
Temperature 318 °C