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ethyl 2-({[(1-allyl-6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 79aHCZGpNY7
InChI InChI=1S/C20H24N4O4S2/c1-3-9-24-14(21)10-15(25)23-20(24)29-11-16(26)22-18-17(19(27)28-4-2)12-7-5-6-8-13(12)30-18/h3,10H,1,4-9,11,21H2,2H3,(H,22,26)
InChIKey YBRKXOMHAKLFOA-UHFFFAOYSA-N
Mol Weight 448.56 g/mol
Molecular Formula C20H24N4O4S2
Exact Mass 448.123898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ECLfdE2E3tt
Name ethyl 2-({[(1-allyl-6-amino-4-oxo-1,4-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/C20H24N4O4S2/c1-3-9-24-14(21)10-15(25)23-20(24)29-11-16(26)22-18-17(19(27)28-4-2)12-7-5-6-8-13(12)30-18/h3,10H,1,4-9,11,21H2,2H3,(H,22,26)
InChIKey YBRKXOMHAKLFOA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3108
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: 9314616; UBI_ID: UBI-003109
Temperature 308 °C