| SpectraBase Spectrum ID |
HCcCB49N5T5 |
| Name |
6-Benzyl-3,7,7-trimethyl-2-(methylthio)-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 |
C17H22N4OS |
| InChI |
InChI=1S/C17H22N4OS/c1-17(2)19-14-13(15(22)20(3)16(18-14)23-4)11-21(17)10-12-8-6-5-7-9-12/h5-9,19H,10-11H2,1-4H3 |
| InChIKey |
VSZKUQUDSXILLR-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu-GCMS 2010-DI-2010 spectrometer |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.p008.653 |
| Molecular Weight |
330.450 g/mol |
| Reported Formula |
C17H22N4OS |
| SMILES |
N1C2=C(CN(C1(C)C)Cc1ccccc1)C(N(C(=N2)SC)C)=O |
| SPLASH |
splash10-007p-7952000000-040a2f070eaffacb9f47 |
| Source of Spectrum |
ARK-2014-SM41-4b |
| Wiley ID |
1845610 |
![6-Benzyl-3,7,7-trimethyl-2-(methylthio)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-one](/api/spectrum/HCcCB49N5T5/structure.png?h=300&w=458 "6-Benzyl-3,7,7-trimethyl-2-(methylthio)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-one")
