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5-[1-[3-(methoxycarbonyl)-N-ethylpseudothioureido]]uracil
SpectraBase Compound ID AZIbViE1WJJ
InChI InChI=1S/C9H12N4O4S/c1-3-13(8(18)12-9(16)17-2)5-4-10-7(15)11-6(5)14/h4H,3H2,1-2H3,(H,12,16,18)(H2,10,11,14,15)
InChIKey XAXFUICCEWVMAH-UHFFFAOYSA-N
Mol Weight 272.28 g/mol
Molecular Formula C9H12N4O4S
Exact Mass 272.057926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R9U1n06VJX
Name 5-[1-[3-(methoxycarbonyl)-N-ethylpseudothioureido]]uracil
CAS Registry Number 116888-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O4S
InChI InChI=1S/C9H12N4O4S/c1-3-13(8(18)12-9(16)17-2)5-4-10-7(15)11-6(5)14/h4H,3H2,1-2H3,(H,12,16,18)(H2,10,11,14,15)
InChIKey XAXFUICCEWVMAH-UHFFFAOYSA-N
Molecular Weight 272.279 g/mol
SMILES N1C(NC=C(C1=O)N(C(NC(=O)OC)=S)CC)=O
SPLASH splash10-05ir-7910000000-e4932821120bda12d535
Source of Spectrum J-53-5627-17
Synonyms 5-[1-[3-(methoxycarbonyl)-S-ethylpseudothioureido]]uracil Methyl[(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(ethyl)amino]carbothioylcarbamate
Wiley ID 197318