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1-allyl-5-[(1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(3-nitrophenyl)methyl]-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

View entire compound with spectra: 2 NMR

1-allyl-5-[(1-allyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(3-nitrophenyl)methyl]-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
SpectraBase Compound ID GZXUqhTzkSl
InChI InChI=1S/C21H19N5O6S2/c1-3-8-24-18(29)14(16(27)22-20(24)33)13(11-6-5-7-12(10-11)26(31)32)15-17(28)23-21(34)25(9-4-2)19(15)30/h3-7,10,13,29-30H,1-2,8-9H2,(H,22,27,33)(H,23,28,34)
InChIKey IBVVJLYJPXBCQX-UHFFFAOYSA-N
Mol Weight 501.53 g/mol
Molecular Formula C21H19N5O6S2
Exact Mass 501.077676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ZZDXnhFYhD
Name 6-methyl-5-{[2-methyl-4-oxo-1-(prop-2-en-1-yl)-6-sulfanylidene-1,4,5,6-tetrahydropyridin-3-yl](3-nitrophenyl)methyl}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyridin-4-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.077675694 u
Formula C21H19N5O6S2
InChI InChI=1S/C21H19N5O6S2/c1-3-8-24-18(29)14(16(27)22-20(24)33)13(11-6-5-7-12(10-11)26(31)32)15-17(28)23-21(34)25(9-4-2)19(15)30/h3-7,10,13,29-30H,1-2,8-9H2,(H,22,27,33)(H,23,28,34)
InChIKey IBVVJLYJPXBCQX-UHFFFAOYSA-N
Molecular Weight 501.532 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5080
Solvent DMSO-d6
Source Vendor ID: NMR/9301114; Lab Info: LP; Lab Number: LP-1701094