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ethyl 2-{[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-{[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 5j3ZtQOVx29
InChI InChI=1S/C20H23N5O4S/c1-3-29-20(28)16-12-7-5-4-6-8-14(12)30-18(16)23-15(26)10-25-11-21-17-13(19(25)27)9-22-24(17)2/h9,11H,3-8,10H2,1-2H3,(H,23,26)
InChIKey QDDZDYVAKVCSGA-UHFFFAOYSA-N
Mol Weight 429.5 g/mol
Molecular Formula C20H23N5O4S
Exact Mass 429.147075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9pToEOskkeX
Name ethyl 2-{[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[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/C20H23N5O4S/c1-3-29-20(28)16-12-7-5-4-6-8-14(12)30-18(16)23-15(26)10-25-11-21-17-13(19(25)27)9-22-24(17)2/h9,11H,3-8,10H2,1-2H3,(H,23,26)
InChIKey QDDZDYVAKVCSGA-UHFFFAOYSA-N
NMR Offset 17.9121
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_34006
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: 1998265; SBI_ID: SBI-034010
Temperature 303 °C