5-Butyl-2-mercapto-6-(methoxymethyl)pyrimidin-4-ol

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Systematic / IUPAC Name: 5-Butyl-6-(methoxymethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

ID: Reference4695

Other Names: 5-Butyl-4-hydroxy-2-mercapto-6-methoxymethylpyrimidine;
5-Butyl-6-(methoxymethyl)-2-sulfanylpyrimidin-4-ol;
4(1H)-Pyrimidinone, 5-butyl-2,3-dihydro-6-(methoxymethyl)-2-thioxo-

Formula: C10H16N2O2S

Spectral Data

5-Butyl-2-mercapto-6-(methoxymethyl)pyrimidin-4-ol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/27/2016 12:42:50 PM
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Identificators

InChI InChI=1S/C10H16N2O2S/c1-3-4-5-7-8(6-14-2)11-10(15)12-9(7)13/h3-6H2,1-2H3,(H2,11,12,13,15)
InChI Key CPILUZFECPOURI-UHFFFAOYSA-N
Canonical SMILES CCCCC1=C(NC(=S)NC1=O)COC
CAS
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Other Names 5-Butyl-4-hydroxy-2-mercapto-6-methoxymethylpyrimidine;
5-Butyl-6-(methoxymethyl)-2-sulfanylpyrimidin-4-ol;
4(1H)-Pyrimidinone, 5-butyl-2,3-dihydro-6-(methoxymethyl)-2-thioxo-

In Other Databases

PubChem 2730411
ChemSpider 2012339