For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-amino-6-methylsulfanyl-2-phenyl-pyrimidin-5-yl)ethanone
SpectraBase Compound ID LbTfoqdlep3
InChI InChI=1S/C13H13N3OS/c1-8(17)10-11(14)15-12(16-13(10)18-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKey BWKMCBHQMAOJNE-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C13H13N3OS
Exact Mass 259.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KvvHhHr5N7r
Name 1-(4-amino-6-methylsulfanyl-2-phenyl-pyrimidin-5-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3OS
InChI InChI=1S/C13H13N3OS/c1-8(17)10-11(14)15-12(16-13(10)18-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKey BWKMCBHQMAOJNE-UHFFFAOYSA-N
Molecular Weight 259.327 g/mol
SMILES Nc1nc(nc(c1C(=O)C)SC)-c1ccccc1
SPLASH splash10-0006-0090000000-6b3613e39282a942733b
Source of Spectrum F9-1995-1326-6
Synonyms 1-(4-azanyl-6-methylsulfanyl-2-phenyl-pyrimidin-5-yl)ethanone 1-[4-amino-6-(methylthio)-2-phenyl-5-pyrimidinyl]ethanone 1-[4-amino-6-(methylthio)-2-phenyl-pyrimidin-5-yl]ethanone
Wiley ID 1567010