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4-methyl-3-nitro-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)benzamide
SpectraBase Compound ID JFFzsbCnoYW
InChI InChI=1S/C17H14N4O4S2/c1-8-5-6-9(7-11(8)21(24)25)14(22)19-20-16(23)13-10-3-2-4-12(10)27-15(13)18-17(20)26/h5-7H,2-4H2,1H3,(H,18,26)(H,19,22)
InChIKey CQWCWXKLUMQCCW-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C17H14N4O4S2
Exact Mass 402.045647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hac0cWmHA7h
Name 4-methyl-3-nitro-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)benzamide
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/C17H14N4O4S2/c1-8-5-6-9(7-11(8)21(24)25)14(22)19-20-16(23)13-10-3-2-4-12(10)27-15(13)18-17(20)26/h5-7H,2-4H2,1H3,(H,18,26)(H,19,22)
InChIKey CQWCWXKLUMQCCW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7333
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: UZI/1268877; Labnumber: COL4858; UZI_ID: UZI-007335
Temperature 318 °C