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sec-butyl 2-{[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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sec-butyl 2-{[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 5DbwrWjxbEu
InChI InChI=1S/C21H25N5O4S/c1-4-12(2)30-21(29)17-13-7-5-6-8-15(13)31-19(17)24-16(27)10-26-11-22-18-14(20(26)28)9-23-25(18)3/h9,11-12H,4-8,10H2,1-3H3,(H,24,27)
InChIKey ZYOXCTQFSOLTLW-UHFFFAOYSA-N
Mol Weight 443.52 g/mol
Molecular Formula C21H25N5O4S
Exact Mass 443.162725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1kvJ83J7LAq
Name sec-butyl 2-{[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C21H25N5O4S/c1-4-12(2)30-21(29)17-13-7-5-6-8-15(13)31-19(17)24-16(27)10-26-11-22-18-14(20(26)28)9-23-25(18)3/h9,11-12H,4-8,10H2,1-3H3,(H,24,27)
InChIKey ZYOXCTQFSOLTLW-UHFFFAOYSA-N
NMR Offset 17.9125
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33990
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: 1998232; SBI_ID: SBI-033994
Temperature 303 °C