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ethyl 3-amino-2-[(2-cyanobenzyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID 1TaT7Yy1yGh
InChI InChI=1S/C18H16N4O3S2/c1-3-25-17(24)14-10(2)13-15(27-14)21-18(22(20)16(13)23)26-9-12-7-5-4-6-11(12)8-19/h4-7H,3,9,20H2,1-2H3
InChIKey QQFIAKSBTALXKP-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C18H16N4O3S2
Exact Mass 400.066383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID zhipIPWFug
Name ethyl 3-amino-2-[(2-cyanobenzyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.066382736 u
Formula C18H16N4O3S2
InChI InChI=1S/C18H16N4O3S2/c1-3-25-17(24)14-10(2)13-15(27-14)21-18(22(20)16(13)23)26-9-12-7-5-4-6-11(12)8-19/h4-7H,3,9,20H2,1-2H3
InChIKey QQFIAKSBTALXKP-UHFFFAOYSA-N
Molecular Weight 400.471 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6266
Solvent DMSO-d6
Source Vendor ID: NMR/12328372