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2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

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2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SpectraBase Compound ID 1gkficXMLk3
InChI InChI=1S/C18H16N6O3S3/c1-3-28-18-24-23-17(30-18)20-13(25)9-29-16-21-14(12(8-19)15(26)22-16)10-5-4-6-11(7-10)27-2/h4-7H,3,9H2,1-2H3,(H,20,23,25)(H,21,22,26)
InChIKey AJYQPCNLUCXGRA-UHFFFAOYSA-N
Mol Weight 460.55 g/mol
Molecular Formula C18H16N6O3S3
Exact Mass 460.044602 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4PNLfbcSMhH
Name 2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]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/C18H16N6O3S3/c1-3-28-18-24-23-17(30-18)20-13(25)9-29-16-21-14(12(8-19)15(26)22-16)10-5-4-6-11(7-10)27-2/h4-7H,3,9H2,1-2H3,(H,20,23,25)(H,21,22,26)
InChIKey AJYQPCNLUCXGRA-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12400
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/9120500; UBI_ID: UBI-012403
Temperature 313 °C