| SpectraBase Spectrum ID |
ts9SWtSAVZ |
| Name |
N-(2-Methoxy-5-methylphenyl)-2-{[1-(4-methylphenyl)-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 |
419.141596108 u |
| Formula |
C22H21N5O2S |
| InChI |
InChI=1S/C22H21N5O2S/c1-14-4-7-16(8-5-14)27-21-17(11-25-27)22(24-13-23-21)30-12-20(28)26-18-10-15(2)6-9-19(18)29-3/h4-11,13H,12H2,1-3H3,(H,26,28) |
| InChIKey |
BQJGTXSUMYQEFN-UHFFFAOYSA-N |
| Molecular Weight |
419.503 g/mol |
| SMILES |
N(C1=C(C=CC(=C1)C)OC)C(CSC=1C2=C(N(N=C2)C=2C=CC(=CC2)C)N=CN1)=O |
![N-(2-methoxy-5-methylphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide](/api/spectrum/ts9SWtSAVZ/structure.png?h=300&w=458 "N-(2-methoxy-5-methylphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide")
