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(5E)-1-sec-butyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-sec-butyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 12cXzjCQTD0
InChI InChI=1S/C20H23N5O3S/c1-5-12(2)24-18(27)15(17(26)22-20(24)29)11-21-16-13(3)23(4)25(19(16)28)14-9-7-6-8-10-14/h6-12,21H,5H2,1-4H3,(H,22,26,29)/b15-11+
InChIKey BIPCSNFJNAODGX-RVDMUPIBSA-N
Mol Weight 413.5 g/mol
Molecular Formula C20H23N5O3S
Exact Mass 413.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9vw6Ft529M4
Name (5E)-1-sec-butyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C20H23N5O3S/c1-5-12(2)24-18(27)15(17(26)22-20(24)29)11-21-16-13(3)23(4)25(19(16)28)14-9-7-6-8-10-14/h6-12,21H,5H2,1-4H3,(H,22,26,29)/b15-11+
InChIKey BIPCSNFJNAODGX-RVDMUPIBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17647
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: D28857; Labnumber: KKA-0211-3811; SBI_ID: SBI-017650
Synonyms 1-sec-butyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C