| SpectraBase Spectrum ID |
B0oGDYXJn3A |
| Name |
6-Benzyl-8-butyl-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 |
C20H26N4O2S |
| InChI |
InChI=1S/C20H26N4O2S/c1-4-5-11-16-19(26)24(12-14-9-7-6-8-10-14)13-15-17(21-16)22-20(27-3)23(2)18(15)25/h6-10,16,21H,4-5,11-13H2,1-3H3 |
| InChIKey |
VQCPWSUREKRTSF-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU 2010-DI-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.arabjc.2016.07.012 |
| Molecular Weight |
386.514 g/mol |
| Reported Formula |
C20H26N4O2S |
| SMILES |
N1C(C(N(CC=2C(N(C(=NC12)SC)C)=O)Cc1ccccc1)=O)CCCC |
| SPLASH |
splash10-000b-6791000000-682436645dedf843858e |
| Source of Spectrum |
AJC-12-SM123-8v |
| Wiley ID |
1857411 |
![6-Benzyl-8-butyl-3-methyl-2-(methylthio)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione](/api/spectrum/B0oGDYXJn3A/structure.png?h=300&w=458 "6-Benzyl-8-butyl-3-methyl-2-(methylthio)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-e][1,4]diazepine-4,7-dione")
