| SpectraBase Spectrum ID |
7swAvvkkc1B |
| Name |
1-(4-Bromophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl)sulfanyl]ethanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.999345228 u |
| Formula |
C19H13BrN4OS |
| InChI |
InChI=1S/C19H13BrN4OS/c20-14-8-6-13(7-9-14)17(25)11-26-19-16-10-23-24(18(16)21-12-22-19)15-4-2-1-3-5-15/h1-10,12H,11H2 |
| InChIKey |
PJVMXHCTZSOCPI-UHFFFAOYSA-N |
| Molecular Weight |
425.304 g/mol |
| SMILES |
C1=CC=C(N2C3=C(C(SCC(C=4C=CC(=CC4)Br)=O)=NC=N3)C=N2)C=C1 |
![1-(4-bromophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]ethanone](/api/spectrum/7swAvvkkc1B/structure.png?h=300&w=458 "1-(4-bromophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]ethanone")
