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2-{4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbothioyl]-1-piperazinyl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SpectraBase Compound ID 5b5S9Gseru3
InChI InChI=1S/C23H24N6O5S/c1-2-27-13-16(21(31)32)19(30)15-12-24-22(26-20(15)27)28-5-7-29(8-6-28)23(35)25-14-3-4-17-18(11-14)34-10-9-33-17/h3-4,11-13H,2,5-10H2,1H3,(H,25,35)(H,31,32)
InChIKey YPXLTFWATXDRGH-UHFFFAOYSA-N
Mol Weight 496.54 g/mol
Molecular Formula C23H24N6O5S
Exact Mass 496.152889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3slbOT5bpqq
Name 2-{4-[(2,3-dihydro-1,4-benzodioxin-6-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/C23H24N6O5S/c1-2-27-13-16(21(31)32)19(30)15-12-24-22(26-20(15)27)28-5-7-29(8-6-28)23(35)25-14-3-4-17-18(11-14)34-10-9-33-17/h3-4,11-13H,2,5-10H2,1H3,(H,25,35)(H,31,32)
InChIKey YPXLTFWATXDRGH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24519
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: D47583; Labnumber: NCOBK-0520; SBI_ID: SBI-024523
Temperature 318 °C