| SpectraBase Spectrum ID |
CyAgYrbnlGr |
| Name |
N-(3,4-Difluorophenyl)-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 |
411.096537622 u |
| Formula |
C20H15F2N5OS |
| InChI |
InChI=1S/C20H15F2N5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-13-4-7-16(21)17(22)8-13/h2-9,11H,10H2,1H3,(H,26,28) |
| InChIKey |
BPRPWUXENRBSSR-UHFFFAOYSA-N |
| Molecular Weight |
411.431 g/mol |
| SMILES |
N(C(CSC=1C2=C(N(N=C2)C2=CC=C(C=C2)C)N=CN1)=O)C1=CC(F)=C(C=C1)F |
![N-(3,4-difluorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide](/api/spectrum/CyAgYrbnlGr/structure.png?h=300&w=458 "N-(3,4-difluorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide")
