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5-chloro-2-methoxy-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)benzamide
SpectraBase Compound ID KjajYhwIqA5
InChI InChI=1S/C17H14ClN3O3S2/c1-24-11-6-5-8(18)7-10(11)14(22)20-21-16(23)13-9-3-2-4-12(9)26-15(13)19-17(21)25/h5-7H,2-4H2,1H3,(H,19,25)(H,20,22)
InChIKey SQKVSFSGGUQKKT-UHFFFAOYSA-N
Mol Weight 407.89 g/mol
Molecular Formula C17H14ClN3O3S2
Exact Mass 407.016511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AVKLcbz6jy0
Name 5-chloro-2-methoxy-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/C17H14ClN3O3S2/c1-24-11-6-5-8(18)7-10(11)14(22)20-21-16(23)13-9-3-2-4-12(9)26-15(13)19-17(21)25/h5-7H,2-4H2,1H3,(H,19,25)(H,20,22)
InChIKey SQKVSFSGGUQKKT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7364
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/1269637; Labnumber: COL4920; UZI_ID: UZI-007366
Temperature 318 °C