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2-[({[4-(4-methoxyphenyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SpectraBase Compound ID 8lvNgR43RSQ
InChI InChI=1S/C21H20N4O3S2/c1-28-13-7-5-12(6-8-13)15-9-10-23-21(24-15)29-11-17(26)25-20-18(19(22)27)14-3-2-4-16(14)30-20/h5-10H,2-4,11H2,1H3,(H2,22,27)(H,25,26)
InChIKey IFQHWXHMRAJNKS-UHFFFAOYSA-N
Mol Weight 440.54 g/mol
Molecular Formula C21H20N4O3S2
Exact Mass 440.097683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JfzAC2Hb0rs
Name 2-[({[4-(4-methoxyphenyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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/C21H20N4O3S2/c1-28-13-7-5-12(6-8-13)15-9-10-23-21(24-15)29-11-17(26)25-20-18(19(22)27)14-3-2-4-16(14)30-20/h5-10H,2-4,11H2,1H3,(H2,22,27)(H,25,26)
InChIKey IFQHWXHMRAJNKS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10281
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/1267607; Labnumber: KEM0221; UZI_ID: UZI-010283
Temperature 318 °C