| 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 |
![3-Methyl-2-(methylthio)-7(R)-phenyl-6-[(R)-1-phenylethyl]-5,6,7,8-tetrahydropyrimido-[4,5-d]pyrimidin-4(3H)-one](/api/spectrum/1ZjWkB2Nsd3/structure.png?h=300&w=458 "3-Methyl-2-(methylthio)-7(R)-phenyl-6-[(R)-1-phenylethyl]-5,6,7,8-tetrahydropyrimido-[4,5-d]pyrimidin-4(3H)-one")
