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3-amino-2-({1-[(cyclopentylamino)carbonyl]propyl}sulfanyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
SpectraBase Compound ID 3g6PBlsyijt
InChI InChI=1S/C25H31N5O3S2/c1-5-18(21(31)27-16-8-6-7-9-16)34-25-29-23-19(24(33)30(25)26)15(4)20(35-23)22(32)28-17-11-10-13(2)12-14(17)3/h10-12,16,18H,5-9,26H2,1-4H3,(H,27,31)(H,28,32)
InChIKey YSXVNLBJITZEAY-UHFFFAOYSA-N
Mol Weight 513.68 g/mol
Molecular Formula C25H31N5O3S2
Exact Mass 513.186832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CNRjAOOkFEv
Name 3-amino-2-({1-[(cyclopentylamino)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 513.186832223 u
Formula C25H31N5O3S2
InChI InChI=1S/C25H31N5O3S2/c1-5-18(21(31)27-16-8-6-7-9-16)34-25-29-23-19(24(33)30(25)26)15(4)20(35-23)22(32)28-17-11-10-13(2)12-14(17)3/h10-12,16,18H,5-9,26H2,1-4H3,(H,27,31)(H,28,32)
InChIKey YSXVNLBJITZEAY-UHFFFAOYSA-N
Molecular Weight 513.675 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8501
Solvent DMSO-d6
Source Vendor ID: NMR/13219727