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2-(1-adamantyl)-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)acetamide
SpectraBase Compound ID KvVzkJP915p
InChI InChI=1S/C21H25N3O2S2/c25-16(10-21-7-11-4-12(8-21)6-13(5-11)9-21)23-24-19(26)17-14-2-1-3-15(14)28-18(17)22-20(24)27/h11-13H,1-10H2,(H,22,27)(H,23,25)/t11-,12+,13-,21-
InChIKey RUUUCWBIHYGFDR-VKTBNBLDSA-N
Mol Weight 415.57 g/mol
Molecular Formula C21H25N3O2S2
Exact Mass 415.138819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2oUt0NSOw1a
Name 2-(1-adamantyl)-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)acetamide
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/C21H25N3O2S2/c25-16(10-21-7-11-4-12(8-21)6-13(5-11)9-21)23-24-19(26)17-14-2-1-3-15(14)28-18(17)22-20(24)27/h11-13H,1-10H2,(H,22,27)(H,23,25)/t11-,12+,13-,21-
InChIKey RUUUCWBIHYGFDR-VKTBNBLDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7334
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/1269708; Labnumber: COL4859; UZI_ID: UZI-007336
Temperature 318 °C