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2-{[(E)-(1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid

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2-{[(E)-(1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid
SpectraBase Compound ID 8sNAXVKxNPG
InChI InChI=1S/C19H23N3O5S2/c1-11(2)12-4-6-13(7-5-12)22-17(24)14(16(23)21-19(22)28)10-20-15(18(25)26)8-9-29(3)27/h4-7,10-11,15,20H,8-9H2,1-3H3,(H,25,26)(H,21,23,28)/b14-10+
InChIKey TXDABDCBXDIXON-GXDHUFHOSA-N
Mol Weight 437.53 g/mol
Molecular Formula C19H23N3O5S2
Exact Mass 437.107913 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 69jUN72nqWY
Name 2-{[(E)-(1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic 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/C19H23N3O5S2/c1-11(2)12-4-6-13(7-5-12)22-17(24)14(16(23)21-19(22)28)10-20-15(18(25)26)8-9-29(3)27/h4-7,10-11,15,20H,8-9H2,1-3H3,(H,25,26)(H,21,23,28)/b14-10+
InChIKey TXDABDCBXDIXON-GXDHUFHOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23431
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: D40396; Labnumber: NC98SP32-1596; SBI_ID: SBI-023435
Synonyms 2-{[(1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid
Temperature 318 °C