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N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide

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N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 2ecqEnNQ2KQ
InChI InChI=1S/C21H26ClN5O2S/c1-6-26-17(14(22)10-23-26)18(28)25-27-11(2)24-19-16(20(27)29)13-8-7-12(21(3,4)5)9-15(13)30-19/h10,12H,6-9H2,1-5H3,(H,25,28)
InChIKey PAWLMLRDBVRFOK-UHFFFAOYSA-N
Mol Weight 447.99 g/mol
Molecular Formula C21H26ClN5O2S
Exact Mass 447.149574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EantvKmAEQI
Name N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-chloro-1-ethyl-1H-pyrazole-5-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/C21H26ClN5O2S/c1-6-26-17(14(22)10-23-26)18(28)25-27-11(2)24-19-16(20(27)29)13-8-7-12(21(3,4)5)9-15(13)30-19/h10,12H,6-9H2,1-5H3,(H,25,28)
InChIKey PAWLMLRDBVRFOK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1138
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/1149994; Labnumber: AC-NHALL/0708438; UZI_ID: UZI-001140
Temperature 313 °C