| SpectraBase Spectrum ID |
CMtwtWGqCTU |
| Name |
6-Benzyl-8-ethyl-3-methyl-2-(methylthio)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione |
| Appearance |
Colourless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N4O2S |
| InChI |
InChI=1S/C18H22N4O2S/c1-4-14-17(24)22(10-12-8-6-5-7-9-12)11-13-15(19-14)20-18(25-3)21(2)16(13)23/h5-9,14,19H,4,10-11H2,1-3H3 |
| InChIKey |
IKTZMXUYNUHWMO-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU 2010-DI-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.arabjc.2016.07.012 |
| Molecular Weight |
358.460 g/mol |
| Reported Formula |
C18H22N4O2S |
| SMILES |
N1C(C(N(CC=2C(N(C(=NC12)SC)C)=O)Cc1ccccc1)=O)CC |
| SPLASH |
splash10-007k-0930000000-619b1df03396520237ee |
| Source of Spectrum |
AJC-12-SM122-8u |
| Wiley ID |
1857410 |
![6-Benzyl-8-ethyl-3-methyl-2-(methylthio)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione](/api/spectrum/CMtwtWGqCTU/structure.png?h=300&w=458 "6-Benzyl-8-ethyl-3-methyl-2-(methylthio)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione")
