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2-{[2-amino-5-cyano-6-(methylsulfanyl)-4-pyrimidinyl]sulfanyl}-N-(3-fluorophenyl)acetamide
SpectraBase Compound ID Gmw9ug8EWhH
InChI InChI=1S/C14H12FN5OS2/c1-22-12-10(6-16)13(20-14(17)19-12)23-7-11(21)18-9-4-2-3-8(15)5-9/h2-5H,7H2,1H3,(H,18,21)(H2,17,19,20)
InChIKey BRLGVXWTAMMWJC-UHFFFAOYSA-N
Mol Weight 349.4 g/mol
Molecular Formula C14H12FN5OS2
Exact Mass 349.046731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36utVoTfBsF
Name 2-{[2-amino-5-cyano-6-(methylsulfanyl)-4-pyrimidinyl]sulfanyl}-N-(3-fluorophenyl)acetamide
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/C14H12FN5OS2/c1-22-12-10(6-16)13(20-14(17)19-12)23-7-11(21)18-9-4-2-3-8(15)5-9/h2-5H,7H2,1H3,(H,18,21)(H2,17,19,20)
InChIKey BRLGVXWTAMMWJC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9923
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: 132531; Labnumber: SHES1-081; VK_ID: VK-009927
Temperature 318 °C