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8-ethyl-2-(4-{[(2-methoxydibenzo[b,d]furan-3-yl)amino]carbothioyl}-1-piperazinyl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SpectraBase Compound ID ICs7i8qOyYR
InChI InChI=1S/C28H26N6O5S/c1-3-32-15-19(26(36)37)24(35)18-14-29-27(31-25(18)32)33-8-10-34(11-9-33)28(40)30-20-13-22-17(12-23(20)38-2)16-6-4-5-7-21(16)39-22/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,40)(H,36,37)
InChIKey RLDHZDLWWBILNU-UHFFFAOYSA-N
Mol Weight 558.61 g/mol
Molecular Formula C28H26N6O5S
Exact Mass 558.168539 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6lfoozaUdTk
Name 8-ethyl-2-(4-{[(2-methoxydibenzo[b,d]furan-3-yl)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/C28H26N6O5S/c1-3-32-15-19(26(36)37)24(35)18-14-29-27(31-25(18)32)33-8-10-34(11-9-33)28(40)30-20-13-22-17(12-23(20)38-2)16-6-4-5-7-21(16)39-22/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,40)(H,36,37)
InChIKey RLDHZDLWWBILNU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24530
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: D47595; Labnumber: NCOBK-0544; SBI_ID: SBI-024534
Temperature 318 °C