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6-Benzyl-3-methyl-2-(methylthio)-5,6-dihydropyrimido[4,5-d]pyrimidin-4(3H)-one
SpectraBase Compound ID DAl2WaMw9cM
InChI InChI=1S/C15H16N4OS/c1-18-14(20)12-9-19(8-11-6-4-3-5-7-11)10-16-13(12)17-15(18)21-2/h3-7,10H,8-9H2,1-2H3
InChIKey DZUBJTAVZZRXQF-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C15H16N4OS
Exact Mass 300.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjiKOMFzFxT
Name 6-Benzyl-3-methyl-2-(methylthio)-5,6-dihydropyrimido[4,5-d]pyrimidin-4(3H)-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4OS
InChI InChI=1S/C15H16N4OS/c1-18-14(20)12-9-19(8-11-6-4-3-5-7-11)10-16-13(12)17-15(18)21-2/h3-7,10H,8-9H2,1-2H3
InChIKey DZUBJTAVZZRXQF-UHFFFAOYSA-N
Instrument Name Shimadzu-GCMS 2010-DI-2010 spectrometer
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.653
Molecular Weight 300.380 g/mol
Reported Formula C15H16N4OS
SMILES c1(ccccc1)CN1C=NC=2N=C(N(C(C2C1)=O)C)SC
SPLASH splash10-0006-9020000000-81cfc6a3ab6b94735934
Source of Spectrum ARK-2014-SM38-3f
Wiley ID 1845605