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3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
SpectraBase Compound ID 6G1fa4Nmi4X
InChI InChI=1S/C25H31N5O2S2/c1-3-27-12-14-28(15-13-27)22-19(23(31)29-11-7-8-17(2)21(29)26-22)16-20-24(32)30(25(33)34-20)18-9-5-4-6-10-18/h7-8,11,16,18H,3-6,9-10,12-15H2,1-2H3/b20-16-
InChIKey ZBBZIZNJQCXFOM-SILNSSARSA-N
Mol Weight 497.68 g/mol
Molecular Formula C25H31N5O2S2
Exact Mass 497.191918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2dv4uByYKv2
Name 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
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/C25H31N5O2S2/c1-3-27-12-14-28(15-13-27)22-19(23(31)29-11-7-8-17(2)21(29)26-22)16-20-24(32)30(25(33)34-20)18-9-5-4-6-10-18/h7-8,11,16,18H,3-6,9-10,12-15H2,1-2H3/b20-16-
InChIKey ZBBZIZNJQCXFOM-SILNSSARSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8280
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: 129576; Labnumber: EX00119986; VK_ID: VK-008284
Synonyms 3-[(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Temperature 318 °C