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N-(4-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl)acetamide

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N-(4-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl)acetamide
SpectraBase Compound ID 7oS5TsAPSid
InChI InChI=1S/C22H22N4O3S/c1-5-10-25-21(29)19(20(28)24-22(25)30)12-16-11-13(2)26(14(16)3)18-8-6-17(7-9-18)23-15(4)27/h5-9,11-12H,1,10H2,2-4H3,(H,23,27)(H,24,28,30)/b19-12+
InChIKey ADENTZDFZJGPIY-XDHOZWIPSA-N
Mol Weight 422.5 g/mol
Molecular Formula C22H22N4O3S
Exact Mass 422.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5V3WDlJvrem
Name N-(4-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl)acetamide
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/C22H22N4O3S/c1-5-10-25-21(29)19(20(28)24-22(25)30)12-16-11-13(2)26(14(16)3)18-8-6-17(7-9-18)23-15(4)27/h5-9,11-12H,1,10H2,2-4H3,(H,23,27)(H,24,28,30)/b19-12+
InChIKey ADENTZDFZJGPIY-XDHOZWIPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10071
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: 1001451; UBI_ID: UBI-010074
Synonyms N-(4-{3-[(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl)acetamide
Temperature 315 °C