| SpectraBase Spectrum ID |
9cKOgcsBzFq |
| Name |
6-[N-(4-Bromophenyl)thiocarbamoyl]-1-phenylpyrazolo[3,4-D]-4-(1H)pyrimidinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.010244264 u |
| Formula |
C18H14BrN5OS |
| InChI |
InChI=1S/C18H14BrN5OS/c19-11-6-8-12(9-7-11)21-18(26)15-22-16-14(17(25)23-15)10-20-24(16)13-4-2-1-3-5-13/h1-10,14,16H,(H,21,26)(H,22,23,25) |
| InChIKey |
PQUSWVCHTCEEHV-UHFFFAOYSA-N |
| Molecular Weight |
428.308 g/mol |
| SMILES |
C12NC(=NC(C2C=NN1C1=CC=CC=C1)=O)C(=S)NC=1C=CC(Br)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895213 |
![6-[N-(4-Bromophenyl)thiocarbamoyl]-1-phenylpyrazolo[3,4-d]-4-(1H)pyrimidinone](/api/spectrum/9cKOgcsBzFq/structure.png?h=300&w=458 "6-[N-(4-Bromophenyl)thiocarbamoyl]-1-phenylpyrazolo[3,4-d]-4-(1H)pyrimidinone")
