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3-(methylsulfanylmethyl)-6-phenyl-pteridin-4-one
SpectraBase Compound ID JLT0enUHcNo
InChI InChI=1S/C14H12N4OS/c1-20-9-18-8-16-13-12(14(18)19)17-11(7-15-13)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey GXLRIPQBZQDKHM-UHFFFAOYSA-N
Mol Weight 284.34 g/mol
Molecular Formula C14H12N4OS
Exact Mass 284.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BolVNGQeDXr
Name 3-(methylsulfanylmethyl)-6-phenyl-pteridin-4-one
Alternate Name(s) 3-[(methylthio)methyl]-6-phenyl-4-pteridinone 3-[(methylthio)methyl]-6-phenyl-pteridin-4-one
CAS Registry Number 113120-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N4OS
InChI InChI=1S/C14H12N4OS/c1-20-9-18-8-16-13-12(14(18)19)17-11(7-15-13)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey GXLRIPQBZQDKHM-UHFFFAOYSA-N
Molecular Weight 284.337 g/mol
SMILES c12C(N(CSC)C=Nc2ncc(n1)-c1ccccc1)=O
SPLASH splash10-00pr-0090000000-b92541d7dab770fbf56b
Source of Spectrum Y-24-449-12
Wiley ID 1287593