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5-(2-Benzoimidazol-1-yl-acetyl)-1,3-diethyl-6-hydroxy-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
SpectraBase Compound ID LQ29uy8a8Sa
InChI InChI=1S/C17H18N4O3S/c1-3-20-15(23)14(16(24)21(4-2)17(20)25)13(22)9-19-10-18-11-7-5-6-8-12(11)19/h5-8,10,23H,3-4,9H2,1-2H3
InChIKey CQRTYVBOCCHEIU-UHFFFAOYSA-N
Mol Weight 358.42 g/mol
Molecular Formula C17H18N4O3S
Exact Mass 358.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYtsWTAD9EQ
Name 5-(2-Benzoimidazol-1-yl-acetyl)-1,3-diethyl-6-hydroxy-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4O3S
InChI InChI=1S/C17H18N4O3S/c1-3-20-15(23)14(16(24)21(4-2)17(20)25)13(22)9-19-10-18-11-7-5-6-8-12(11)19/h5-8,10,23H,3-4,9H2,1-2H3
InChIKey CQRTYVBOCCHEIU-UHFFFAOYSA-N
Molecular Weight 358.416 g/mol
SMILES OC1=C(C(=O)N(C(N1CC)=S)CC)C(C[n]1cnc2c1cccc2)=O
SPLASH splash10-053r-0809000000-380ca38c56e34448cc64
Source of Spectrum Y-38-362-12
Synonyms 5-(1H-benzimidazol-1-ylacetyl)-1,3-diethyl-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone 5-[(Benzimidazol-1'-yl)acetyl]-1,3-diethyl-2-thiobarbituric acid 5-[2-(1-benzimidazolyl)-1-oxoethyl]-1,3-diethyl-6-hydroxy-2-sulfanylidene-4-pyrimidinone 5-[2-(benzimidazol-1-yl)acetyl]-1,3-diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one 5-[2-(benzimidazol-1-yl)acetyl]-1,3-diethyl-6-hydroxy-2-thioxo-pyrimidin-4-one 5-[2-(benzimidazol-1-yl)ethanoyl]-1,3-diethyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one
Wiley ID 848256