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2-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HiWXsHvyRMr
InChI InChI=1S/C21H21N3O3S2/c25-17(23-9-11-27-12-10-23)13-28-21-22-19-18(15-7-4-8-16(15)29-19)20(26)24(21)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKey CCRRZBRBSYPNFP-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C21H21N3O3S2
Exact Mass 427.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID yp6cEoVMNi
Name 2-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
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/C21H21N3O3S2/c25-17(23-9-11-27-12-10-23)13-28-21-22-19-18(15-7-4-8-16(15)29-19)20(26)24(21)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKey CCRRZBRBSYPNFP-UHFFFAOYSA-N
NMR Offset 15.1248
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3559
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: ZI/7073335; Labnumber: LP-2179003; IOH_ID: IOH-003560
Temperature 303 °C