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4H-pyrido[1,2-a]pyrimidin-4-one, 7-chloro-2-[[[3-(4-ethylphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]methyl]-

View entire compound with spectra: 1 NMR

4H-pyrido[1,2-a]pyrimidin-4-one, 7-chloro-2-[[[3-(4-ethylphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]methyl]-
SpectraBase Compound ID 9G29LKpQR5p
InChI InChI=1S/C22H16ClN5O2S3/c1-2-12-3-6-15(7-4-12)28-19-18(33-22(28)31)20(30)26-21(25-19)32-11-14-9-17(29)27-10-13(23)5-8-16(27)24-14/h3-10H,2,11H2,1H3,(H,25,26,30)
InChIKey QTZPVESNLZFGAY-UHFFFAOYSA-N
Mol Weight 514.04 g/mol
Molecular Formula C22H16ClN5O2S3
Exact Mass 513.015466 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hnQ9FricTG
Name 4H-pyrido[1,2-a]pyrimidin-4-one, 7-chloro-2-[[[3-(4-ethylphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]methyl]-
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/C22H16ClN5O2S3/c1-2-12-3-6-15(7-4-12)28-19-18(33-22(28)31)20(30)26-21(25-19)32-11-14-9-17(29)27-10-13(23)5-8-16(27)24-14/h3-10H,2,11H2,1H3,(H,25,26,30)
InChIKey QTZPVESNLZFGAY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7377
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: NMR/10328923