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3-Methyl-2-(methylthio)-7(R)-phenyl-6-[(R)-1-phenylethyl]-5,6,7,8-tetrahydropyrimido-[4,5-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 4D7DchRYYqU
InChI InChI=1S/C22H24N4OS/c1-15(16-10-6-4-7-11-16)26-14-18-19(24-22(28-3)25(2)21(18)27)23-20(26)17-12-8-5-9-13-17/h4-13,15,20,23H,14H2,1-3H3/t15-,20-/m1/s1
InChIKey RWQBYZIVBZBWEC-FOIQADDNSA-N
Mol Weight 392.52 g/mol
Molecular Formula C22H24N4OS
Exact Mass 392.167083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZjWkB2Nsd3
Name 3-Methyl-2-(methylthio)-7(R)-phenyl-6-[(R)-1-phenylethyl]-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 C22H24N4OS
InChI InChI=1S/C22H24N4OS/c1-15(16-10-6-4-7-11-16)26-14-18-19(24-22(28-3)25(2)21(18)27)23-20(26)17-12-8-5-9-13-17/h4-13,15,20,23H,14H2,1-3H3/t15-,20-/m1/s1
InChIKey RWQBYZIVBZBWEC-FOIQADDNSA-N
Instrument Name Shimadzu-GCMS 2010-DI-2010 spectrometer
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.653
Molecular Weight 392.521 g/mol
Optical Rotation [a]D +84.4 (DCM)
Reported Formula C22H24N4OS
SMILES N1C=2N=C(N(C(C2CN([C@@]1(c1ccccc1)[H])[C@@](c1ccccc1)(C)[H])=O)C)SC
SPLASH splash10-0a4r-1790000000-984be3eff274ec5b270e
Source of Spectrum ARK-2014-SM44-4g1
Wiley ID 1845615