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

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8-ethyl-2-[4-({[1-(methoxycarbonyl)-2-methylpropyl]amino}carbothioyl)-1-piperazinyl]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SpectraBase Compound ID 4bKWpYTN8V3
InChI InChI=1S/C21H28N6O5S/c1-5-25-11-14(18(29)30)16(28)13-10-22-20(24-17(13)25)26-6-8-27(9-7-26)21(33)23-15(12(2)3)19(31)32-4/h10-12,15H,5-9H2,1-4H3,(H,23,33)(H,29,30)
InChIKey IRXHBEXEBUHLNO-UHFFFAOYSA-N
Mol Weight 476.55 g/mol
Molecular Formula C21H28N6O5S
Exact Mass 476.184189 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5I5gFuZ1BZl
Name 8-ethyl-2-[4-({[1-(methoxycarbonyl)-2-methylpropyl]amino}carbothioyl)-1-piperazinyl]-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/C21H28N6O5S/c1-5-25-11-14(18(29)30)16(28)13-10-22-20(24-17(13)25)26-6-8-27(9-7-26)21(33)23-15(12(2)3)19(31)32-4/h10-12,15H,5-9H2,1-4H3,(H,23,33)(H,29,30)
InChIKey IRXHBEXEBUHLNO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9110
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: D52517; Labnumber: NNOBK-5472; SBI_ID: SBI-009113
Temperature 306 °C