| SpectraBase Spectrum ID |
Ei7c4XpcdyA |
| Name |
3,3-Dimethyl-1-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-yl]sulfanyl}-2-butanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.135782453 u |
| Formula |
C18H20N4OS |
| InChI |
InChI=1S/C18H20N4OS/c1-12-5-7-13(8-6-12)22-16-14(9-21-22)17(20-11-19-16)24-10-15(23)18(2,3)4/h5-9,11H,10H2,1-4H3 |
| InChIKey |
MMWHMKRWNMYQMV-UHFFFAOYSA-N |
| Molecular Weight |
340.445 g/mol |
| SMILES |
CC1=CC=C(N2C3=C(C(SCC(C(C)(C)C)=O)=NC=N3)C=N2)C=C1 |
![3,3-dimethyl-1-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-2-butanone](/api/spectrum/Ei7c4XpcdyA/structure.png?h=300&w=458 "3,3-dimethyl-1-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-2-butanone")
