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6-Cyclohexyl-3-methyl-2-(methylthio)-7-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-one
SpectraBase Compound ID Cunh1od8X51
InChI InChI=1S/C20H26N4OS/c1-23-19(25)16-13-24(15-11-7-4-8-12-15)18(14-9-5-3-6-10-14)21-17(16)22-20(23)26-2/h3,5-6,9-10,15,18,21H,4,7-8,11-13H2,1-2H3
InChIKey NSFONQMRXBBERT-UHFFFAOYSA-N
Mol Weight 370.52 g/mol
Molecular Formula C20H26N4OS
Exact Mass 370.182733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WzgEXTVwG
Name 6-Cyclohexyl-3-methyl-2-(methylthio)-7-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N4OS
InChI InChI=1S/C20H26N4OS/c1-23-19(25)16-13-24(15-11-7-4-8-12-15)18(14-9-5-3-6-10-14)21-17(16)22-20(23)26-2/h3,5-6,9-10,15,18,21H,4,7-8,11-13H2,1-2H3
InChIKey NSFONQMRXBBERT-UHFFFAOYSA-N
Instrument Name Shimadzu-GCMS 2010-DI-2010 spectrometer
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.653
Molecular Weight 370.515 g/mol
Reported Formula C20H26N4OS
SMILES N1C2=C(CN(C1c1ccccc1)C1CCCCC1)C(N(C(=N2)SC)C)=O
SPLASH splash10-00dr-3593000000-778d78cecb998dc58a42
Source of Spectrum ARK-2014-SM43-4f
Wiley ID 1845614