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N-(3-hydroxypropyl)-4-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzamide

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N-(3-hydroxypropyl)-4-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzamide
SpectraBase Compound ID FJPEMDEbv
InChI InChI=1S/C20H21N3O3S2/c24-10-2-9-21-17(25)13-7-5-12(6-8-13)11-27-20-22-18(26)16-14-3-1-4-15(14)28-19(16)23-20/h5-8,24H,1-4,9-11H2,(H,21,25)(H,22,23,26)
InChIKey JJKIJBUJTUDHFP-UHFFFAOYSA-N
Mol Weight 415.53 g/mol
Molecular Formula C20H21N3O3S2
Exact Mass 415.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EGqpFoLtL7I
Name N-(3-hydroxypropyl)-4-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}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/C20H21N3O3S2/c24-10-2-9-21-17(25)13-7-5-12(6-8-13)11-27-20-22-18(26)16-14-3-1-4-15(14)28-19(16)23-20/h5-8,24H,1-4,9-11H2,(H,21,25)(H,22,23,26)
InChIKey JJKIJBUJTUDHFP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10738
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: 135801; Labnumber: EX00131710; VK_ID: VK-010742
Temperature 318 °C