| SpectraBase Spectrum ID |
8VNaUC51npL |
| Name |
2-[(1-Benzyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.115047008 u |
| Formula |
C21H18N4O2S |
| InChI |
InChI=1S/C21H18N4O2S/c1-27-17-9-7-16(8-10-17)19(26)13-28-21-18-11-24-25(20(18)22-14-23-21)12-15-5-3-2-4-6-15/h2-11,14H,12-13H2,1H3 |
| InChIKey |
YQAHPTMDKXVIDH-UHFFFAOYSA-N |
| Molecular Weight |
390.461 g/mol |
| SMILES |
C=1C=CC(CN2C3=C(C(SCC(C=4C=CC(=CC4)OC)=O)=NC=N3)C=N2)=CC1 |
![2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone](/api/spectrum/8VNaUC51npL/structure.png?h=300&w=458 "2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone")
