4-(Methylthio)-2-morpholino-6-phenylpyrimidine-5-carbonitrile

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Systematic / IUPAC Name: 4-(Methylsulfanyl)-2-(4-morpholinyl)-6-phenyl-5-pyrimidinecarbonitrile

ID: Reference3940

Other Names: 5-Pyrimidinecarbonitrile, 4-(methylthio)-2-(4-morpholinyl)-6-phenyl-

Formula: C16H16N4OS

Spectral Data

4-(Methylthio)-2-morpholino-6-phenylpyrimidine-5-carbonitrile 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 2/24/2016 8:03:20 AM
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Identificators

InChI InChI=1S/C16H16N4OS/c1-22-15-13(11-17)14(12-5-3-2-4-6-12)18-16(19-15)20-7-9-21-10-8-20/h2-6H,7-10H2,1H3
InChI Key PQARGBXKWSCLOH-UHFFFAOYSA-N
Canonical SMILES CSC1=NC(=NC(=C1C#N)C2=CC=CC=C2)N3CCOCC3
CAS
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Other Names 5-Pyrimidinecarbonitrile, 4-(methylthio)-2-(4-morpholinyl)-6-phenyl-

In Other Databases

ChemSpider 2097483
PubChem 2819249