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2-{4-[(1,3-benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

View entire compound with spectra: 1 NMR

2-{4-[(1,3-benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SpectraBase Compound ID CfGoE02lE4S
InChI InChI=1S/C22H22N6O5S/c1-2-26-11-15(20(30)31)18(29)14-10-23-21(25-19(14)26)27-5-7-28(8-6-27)22(34)24-13-3-4-16-17(9-13)33-12-32-16/h3-4,9-11H,2,5-8,12H2,1H3,(H,24,34)(H,30,31)
InChIKey IIVFVHGYLILBKI-UHFFFAOYSA-N
Mol Weight 482.52 g/mol
Molecular Formula C22H22N6O5S
Exact Mass 482.137239 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9pa3g1FLAso
Name 2-{4-[(1,3-benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
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/C22H22N6O5S/c1-2-26-11-15(20(30)31)18(29)14-10-23-21(25-19(14)26)27-5-7-28(8-6-27)22(34)24-13-3-4-16-17(9-13)33-12-32-16/h3-4,9-11H,2,5-8,12H2,1H3,(H,24,34)(H,30,31)
InChIKey IIVFVHGYLILBKI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24525
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: D47589; Labnumber: NCOBK-0526; SBI_ID: SBI-024529
Temperature 318 °C