| SpectraBase Spectrum ID |
2k8nIAYUvZJ |
| Name |
N-(3,4-Dimethylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl)sulfanyl]acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.131031425 u |
| Formula |
C21H19N5OS |
| InChI |
InChI=1S/C21H19N5OS/c1-14-8-9-16(10-15(14)2)25-19(27)12-28-21-18-11-24-26(20(18)22-13-23-21)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,25,27) |
| InChIKey |
SIWKEAWIGQMKEK-UHFFFAOYSA-N |
| Molecular Weight |
389.477 g/mol |
| SMILES |
N(C(CSC=1C2=C(N(N=C2)C2=CC=CC=C2)N=CN1)=O)C1=CC(C)=C(C=C1)C |
![N-(3,4-dimethylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide](/api/spectrum/2k8nIAYUvZJ/structure.png?h=300&w=458 "N-(3,4-dimethylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide")
