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2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]sulfanyl}-N-(5-chloro-2-pyridinyl)acetamide
SpectraBase Compound ID 5TUnLnK5a0x
InChI InChI=1S/C18H16ClN5O2S/c1-11-3-2-4-13(7-11)24-14(20)8-16(25)23-18(24)27-10-17(26)22-15-6-5-12(19)9-21-15/h2-9H,10,20H2,1H3,(H,21,22,26)
InChIKey KBFXCWMUZGBXNN-UHFFFAOYSA-N
Mol Weight 401.87 g/mol
Molecular Formula C18H16ClN5O2S
Exact Mass 401.071324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 33UEAdUrio8
Name 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]sulfanyl}-N-(5-chloro-2-pyridinyl)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/C18H16ClN5O2S/c1-11-3-2-4-13(7-11)24-14(20)8-16(25)23-18(24)27-10-17(26)22-15-6-5-12(19)9-21-15/h2-9H,10,20H2,1H3,(H,21,22,26)
InChIKey KBFXCWMUZGBXNN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8972
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/9685967; Labnumber: GAL1830; UZI_ID: UZI-008974
Temperature 308 °C