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methyl 2-({[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-3-phenylpropanoate
SpectraBase Compound ID KjpTm2Qiwvl
InChI InChI=1S/C16H18N4O4S/c1-24-15(23)11(7-10-5-3-2-4-6-10)18-14(22)9-25-16-19-12(17)8-13(21)20-16/h2-6,8,11H,7,9H2,1H3,(H,18,22)(H3,17,19,20,21)
InChIKey QRJCJIMOCFDKGK-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C16H18N4O4S
Exact Mass 362.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CD0eJgTlxYD
Name methyl 2-({[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-3-phenylpropanoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H18N4O4S/c1-24-15(23)11(7-10-5-3-2-4-6-10)18-14(22)9-25-16-19-12(17)8-13(21)20-16/h2-6,8,11H,7,9H2,1H3,(H,18,22)(H3,17,19,20,21)
InChIKey QRJCJIMOCFDKGK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5144
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9681632; UBI_ID: UBI-005146
Temperature 308 °C