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6-Cyclohexyl-3-methyl-2-(methylthio)-5,6-dihydropyrimido[4,5-d]pyrimidin-4(3H)-one
SpectraBase Compound ID E78epHntePO
InChI InChI=1S/C14H20N4OS/c1-17-13(19)11-8-18(10-6-4-3-5-7-10)9-15-12(11)16-14(17)20-2/h9-10H,3-8H2,1-2H3
InChIKey LIUQJGZULRBPJW-UHFFFAOYSA-N
Mol Weight 292.4 g/mol
Molecular Formula C14H20N4OS
Exact Mass 292.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2WnBrlEEds
Name 6-Cyclohexyl-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 C14H20N4OS
InChI InChI=1S/C14H20N4OS/c1-17-13(19)11-8-18(10-6-4-3-5-7-10)9-15-12(11)16-14(17)20-2/h9-10H,3-8H2,1-2H3
InChIKey LIUQJGZULRBPJW-UHFFFAOYSA-N
Instrument Name Shimadzu-GCMS 2010-DI-2010 spectrometer
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.653
Molecular Weight 292.401 g/mol
Reported Formula C14H20N4OS
SMILES C1(CCCCC1)N1C=NC=2N=C(N(C(C2C1)=O)C)SC
SPLASH splash10-052f-0190000000-ed2a5cc7f2dfde6b84aa
Source of Spectrum ARK-2014-SM39-3h
Wiley ID 1845607