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2-{[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-3-[3-(4-morpholinyl)propyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one

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2-{[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-3-[3-(4-morpholinyl)propyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 7LdUrF4fqtv
InChI InChI=1S/C23H26N6O3S2/c1-15-13-18(24)26-29(15)19(30)14-33-23-25-20-16-5-2-3-6-17(16)34-21(20)22(31)28(23)8-4-7-27-9-11-32-12-10-27/h2-3,5-6,13H,4,7-12,14H2,1H3,(H2,24,26)
InChIKey CDDNLWLWCBHDHW-UHFFFAOYSA-N
Mol Weight 498.62 g/mol
Molecular Formula C23H26N6O3S2
Exact Mass 498.150781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDV57oeX9iA
Name 2-{[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-3-[3-(4-morpholinyl)propyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.150781066 u
Formula C23H26N6O3S2
InChI InChI=1S/C23H26N6O3S2/c1-15-13-18(24)26-29(15)19(30)14-33-23-25-20-16-5-2-3-6-17(16)34-21(20)22(31)28(23)8-4-7-27-9-11-32-12-10-27/h2-3,5-6,13H,4,7-12,14H2,1H3,(H2,24,26)
InChIKey CDDNLWLWCBHDHW-UHFFFAOYSA-N
Molecular Weight 498.620 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7292
Solvent DMSO-d6
Source Vendor ID: NMR/13218032