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3-amino-2-({1-[(cyclohexylamino)carbonyl]propyl}sulfanyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
SpectraBase Compound ID 1zA2Kc1yw0s
InChI InChI=1S/C26H33N5O3S2/c1-5-19(22(32)28-17-9-7-6-8-10-17)35-26-30-24-20(25(34)31(26)27)16(4)21(36-24)23(33)29-18-12-11-14(2)13-15(18)3/h11-13,17,19H,5-10,27H2,1-4H3,(H,28,32)(H,29,33)
InChIKey XESZWJYUHFQRPO-UHFFFAOYSA-N
Mol Weight 527.7 g/mol
Molecular Formula C26H33N5O3S2
Exact Mass 527.202482 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID vTLFzFEVUy
Name 3-amino-2-({1-[(cyclohexylamino)carbonyl]propyl}sulfanyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.202482288 u
Formula C26H33N5O3S2
InChI InChI=1S/C26H33N5O3S2/c1-5-19(22(32)28-17-9-7-6-8-10-17)35-26-30-24-20(25(34)31(26)27)16(4)21(36-24)23(33)29-18-12-11-14(2)13-15(18)3/h11-13,17,19H,5-10,27H2,1-4H3,(H,28,32)(H,29,33)
InChIKey XESZWJYUHFQRPO-UHFFFAOYSA-N
Molecular Weight 527.702 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6660
Solvent DMSO-d6
Source Vendor ID: NMR/12328948