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2-(1,3-benzodioxol-5-yloxy)-N-(5,6-dimethyl-4-oxo-2-sulfanylthieno[2,3-d]pyrimidin-3(4H)-yl)propanamide

View entire compound with spectra: 1 NMR

2-(1,3-benzodioxol-5-yloxy)-N-(5,6-dimethyl-4-oxo-2-sulfanylthieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
SpectraBase Compound ID rWCsQdMgam
InChI InChI=1S/C18H17N3O5S2/c1-8-10(3)28-16-14(8)17(23)21(18(27)19-16)20-15(22)9(2)26-11-4-5-12-13(6-11)25-7-24-12/h4-6,9H,7H2,1-3H3,(H,19,27)(H,20,22)
InChIKey KBNCHKRPYYSVPC-UHFFFAOYSA-N
Mol Weight 419.47 g/mol
Molecular Formula C18H17N3O5S2
Exact Mass 419.060963 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Bn5GriAvTN
Name 2-(1,3-benzodioxol-5-yloxy)-N-(5,6-dimethyl-4-oxo-2-sulfanylthieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
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/C18H17N3O5S2/c1-8-10(3)28-16-14(8)17(23)21(18(27)19-16)20-15(22)9(2)26-11-4-5-12-13(6-11)25-7-24-12/h4-6,9H,7H2,1-3H3,(H,19,27)(H,20,22)
InChIKey KBNCHKRPYYSVPC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8015
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/1268299; Labnumber: COL6605; UZI_ID: UZI-008017
Temperature 306 °C