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ethyl 3-amino-2-({1-[(cyclohexylamino)carbonyl]propyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

View entire compound with spectra: 1 NMR

ethyl 3-amino-2-({1-[(cyclohexylamino)carbonyl]propyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID Gko7VAMr6gm
InChI InChI=1S/C20H28N4O4S2/c1-4-13(16(25)22-12-9-7-6-8-10-12)29-20-23-17-14(18(26)24(20)21)11(3)15(30-17)19(27)28-5-2/h12-13H,4-10,21H2,1-3H3,(H,22,25)
InChIKey SXBPFHKPFOCNBF-UHFFFAOYSA-N
Mol Weight 452.59 g/mol
Molecular Formula C20H28N4O4S2
Exact Mass 452.155198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AgDGQUvgckm
Name ethyl 3-amino-2-({1-[(cyclohexylamino)carbonyl]propyl}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 452.155197742 u
Formula C20H28N4O4S2
InChI InChI=1S/C20H28N4O4S2/c1-4-13(16(25)22-12-9-7-6-8-10-12)29-20-23-17-14(18(26)24(20)21)11(3)15(30-17)19(27)28-5-2/h12-13H,4-10,21H2,1-3H3,(H,22,25)
InChIKey SXBPFHKPFOCNBF-UHFFFAOYSA-N
Molecular Weight 452.588 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7121
Solvent DMSO-d6
Source Vendor ID: NMR/12329659