5-Cyano-2-methyl-4-methylthio-6-phenylpyrimidine

enlarge

Systematic / IUPAC Name: 2-Methyl-4-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile

ID: Reference6362

Other Names: 2-Methyl-4-(methylthio)-6-phenylpyrimidine-5-carbonitrile;
5-Pyrimidinecarbonitrile, 2-methyl-4-(methylthio)-6-phenyl-

Formula: C13H11N3S

Spectral Data

5-Cyano-2-methyl-4-methylthio-6-phenylpyrimidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 2:11:28 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H11N3S/c1-9-15-12(10-6-4-3-5-7-10)11(8-14)13(16-9)17-2/h3-7H,1-2H3
InChI Key LQKXUVVCCVFVLX-UHFFFAOYSA-N
Canonical SMILES CC1=NC(=C(C(=N1)SC)C#N)C2=CC=CC=C2
CAS
Splash
Other Names 2-Methyl-4-(methylthio)-6-phenylpyrimidine-5-carbonitrile;
5-Pyrimidinecarbonitrile, 2-methyl-4-(methylthio)-6-phenyl-

In Other Databases

PubChem 617854
ChemSpider 536960