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ethyl 2-[({[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID A981INnM6Xu
InChI InChI=1S/C23H24N4O4S2/c1-3-31-22(30)20-15-8-5-9-16(15)33-21(20)25-19(29)12-32-23-26-18(28)11-17(24)27(23)14-7-4-6-13(2)10-14/h4,6-7,10-11H,3,5,8-9,12,24H2,1-2H3,(H,25,29)
InChIKey WYSPMSUWIICSAN-UHFFFAOYSA-N
Mol Weight 484.59 g/mol
Molecular Formula C23H24N4O4S2
Exact Mass 484.123898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B8vXAvx3EZk
Name ethyl 2-[({[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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/C23H24N4O4S2/c1-3-31-22(30)20-15-8-5-9-16(15)33-21(20)25-19(29)12-32-23-26-18(28)11-17(24)27(23)14-7-4-6-13(2)10-14/h4,6-7,10-11H,3,5,8-9,12,24H2,1-2H3,(H,25,29)
InChIKey WYSPMSUWIICSAN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14183
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/1011110; UBI_ID: UBI-014186
Temperature 318 °C