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ethyl 4-({[(1-allyl-6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)benzoate
SpectraBase Compound ID 78Ho31epQjV
InChI InChI=1S/C18H20N4O4S/c1-3-9-22-14(19)10-15(23)21-18(22)27-11-16(24)20-13-7-5-12(6-8-13)17(25)26-4-2/h3,5-8,10H,1,4,9,11,19H2,2H3,(H,20,24)
InChIKey OWACTENSYQLHRJ-UHFFFAOYSA-N
Mol Weight 388.44 g/mol
Molecular Formula C18H20N4O4S
Exact Mass 388.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KhrhRgBC9WD
Name ethyl 4-({[(1-allyl-6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)benzoate
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/C18H20N4O4S/c1-3-9-22-14(19)10-15(23)21-18(22)27-11-16(24)20-13-7-5-12(6-8-13)17(25)26-4-2/h3,5-8,10H,1,4,9,11,19H2,2H3,(H,20,24)
InChIKey OWACTENSYQLHRJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9428
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: 1001302; UBI_ID: UBI-009431
Temperature 308 °C