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ethyl 2-({[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 7VAEbtxbybx
InChI InChI=1S/C17H20N4O4S2/c1-2-25-16(24)14-9-5-3-4-6-10(9)27-15(14)20-13(23)8-26-17-19-11(18)7-12(22)21-17/h7H,2-6,8H2,1H3,(H,20,23)(H3,18,19,21,22)
InChIKey QQVMANGTJBOFSL-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C17H20N4O4S2
Exact Mass 408.092597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Dwe3vI7OHR
Name ethyl 2-({[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C17H20N4O4S2/c1-2-25-16(24)14-9-5-3-4-6-10(9)27-15(14)20-13(23)8-26-17-19-11(18)7-12(22)21-17/h7H,2-6,8H2,1H3,(H,20,23)(H3,18,19,21,22)
InChIKey QQVMANGTJBOFSL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12654
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: UZI/9124087; UBI_ID: UBI-012657
Temperature 308 °C