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N-(5-chloro-2-pyridinyl)-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetamide
SpectraBase Compound ID AYZgI57iR0H
InChI InChI=1S/C18H12ClN5O2S/c19-12-6-7-14(21-9-12)22-15(25)10-27-18-23-16(11-4-2-1-3-5-11)13(8-20)17(26)24-18/h1-7,9H,10H2,(H,21,22,25)(H,23,24,26)
InChIKey XQFPABHMBDKEMU-UHFFFAOYSA-N
Mol Weight 397.84 g/mol
Molecular Formula C18H12ClN5O2S
Exact Mass 397.040024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D5Jd1IRb8h8
Name N-(5-chloro-2-pyridinyl)-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]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/C18H12ClN5O2S/c19-12-6-7-14(21-9-12)22-15(25)10-27-18-23-16(11-4-2-1-3-5-11)13(8-20)17(26)24-18/h1-7,9H,10H2,(H,21,22,25)(H,23,24,26)
InChIKey XQFPABHMBDKEMU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11783
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/1009973; UBI_ID: UBI-011786
Temperature 318 °C