2-(Cinnamylthio)-6-propylpyrimidin-4-ol

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Systematic / IUPAC Name: 2-{[(2E)-3-Phenyl-2-propen-1-yl]sulfanyl}-6-propyl-4(1H)-pyrimidinone

ID: Reference6347

Other Names: 2-(Cinnamylthio)-6-propylpyrimidin-4(3H)-one;
2-{[(2E)-3-Phenylprop-2-en-1-yl]sulfanyl}-6-propylpyrimidin-4-ol;
4(3H)-Pyrimidinone, 2-{[(2E)-3-phenyl-2-propen-1-yl]thio}-6-propyl-

Formula: C16H18N2OS

Spectral Data

2-(Cinnamylthio)-6-propylpyrimidin-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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/24/2017 8:18:10 AM
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Identificators

InChI InChI=1S/C16H18N2OS/c1-2-7-14-12-15(19)18-16(17-14)20-11-6-10-13-8-4-3-5-9-13/h3-6,8-10,12H,2,7,11H2,1H3,(H,17,18,19)/b10-6+
InChI Key DMKBESUPDSQJRJ-UXBLZVDNSA-N
Canonical SMILES CCCC1=CC(=O)N=C(N1)SCC=CC2=CC=CC=C2
CAS
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Other Names 2-(Cinnamylthio)-6-propylpyrimidin-4(3H)-one;
2-{[(2E)-3-Phenylprop-2-en-1-yl]sulfanyl}-6-propylpyrimidin-4-ol;
4(3H)-Pyrimidinone, 2-{[(2E)-3-phenyl-2-propen-1-yl]thio}-6-propyl-

In Other Databases

ChEMBL CHEMBL1734316
PubChem 2057948
ChemSpider 1551196