| SpectraBase Spectrum ID |
EEJyIj65Nw9 |
| Name |
8-Oxo-10-phenyl-2-thioxo-2,3-dihydro-8H-pyrimido[1',2':1,2]pyrimido[5,4-f][1,3,4]thiadiazepine-9-carbonitrile |
| Appearance |
Brown crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H8N6OS2 |
| InChI |
InChI=1S/C16H8N6OS2/c17-6-11-12(9-4-2-1-3-5-9)19-15-20-13-10(8-22(15)14(11)23)7-18-21-16(24)25-13/h1-5,7-8H,(H,21,24) |
| InChIKey |
BOAZSAFUXVDAJN-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GC-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4237 |
| Molecular Weight |
364.401 g/mol |
| SMILES |
N1C(SC2=NC=3N(C=C2C=N1)C(C(=C(N3)c1ccccc1)C#N)=O)=S |
| SPLASH |
splash10-004i-0090000000-1cdb97ae6229923e8495 |
| Source of Spectrum |
Y-58-1077-11 |
| Wiley ID |
1879385 |
![8-Oxo-10-phenyl-2-thioxo-2,3-dihydro-8H-pyrimido[1',2':1,2]pyrimido[5,4-f][1,3,4]thiadiazepine-9-carbonitrile](/api/spectrum/EEJyIj65Nw9/structure.png?h=300&w=458 "8-Oxo-10-phenyl-2-thioxo-2,3-dihydro-8H-pyrimido[1',2':1,2]pyrimido[5,4-f][1,3,4]thiadiazepine-9-carbonitrile")
