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thieno[2,3-d]pyrimidine-6-carboxylic acid, 3-amino-2-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-5-methyl-4-oxo-, ethyl ester

View entire compound with spectra: 1 NMR

thieno[2,3-d]pyrimidine-6-carboxylic acid, 3-amino-2-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-5-methyl-4-oxo-, ethyl ester
SpectraBase Compound ID BpXtWRFFKad
InChI InChI=1S/C20H22N4O4S2/c1-5-28-19(27)16-12(4)15-17(30-16)23-20(24(21)18(15)26)29-9-14(25)22-13-7-6-10(2)11(3)8-13/h6-8H,5,9,21H2,1-4H3,(H,22,25)
InChIKey QFNJPQLFVZAEHU-UHFFFAOYSA-N
Mol Weight 446.54 g/mol
Molecular Formula C20H22N4O4S2
Exact Mass 446.108248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LMRq8lFBC8q
Name thieno[2,3-d]pyrimidine-6-carboxylic acid, 3-amino-2-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-5-methyl-4-oxo-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.108247548 u
Formula C20H22N4O4S2
InChI InChI=1S/C20H22N4O4S2/c1-5-28-19(27)16-12(4)15-17(30-16)23-20(24(21)18(15)26)29-9-14(25)22-13-7-6-10(2)11(3)8-13/h6-8H,5,9,21H2,1-4H3,(H,22,25)
InChIKey QFNJPQLFVZAEHU-UHFFFAOYSA-N
Molecular Weight 446.540 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_937
Solvent DMSO-d6
Source Vendor ID: NMR/13239449