| SpectraBase Spectrum ID |
FaiN3yEnGi3 |
| Name |
1H-Purine-2,6-dione, 8-[[(3-fluorophenyl)methyl]thio]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.121275203 u |
| Formula |
C21H19FN4O2S |
| InChI |
InChI=1S/C21H19FN4O2S/c1-24-18-17(19(27)25(2)21(24)28)26(12-14-7-4-3-5-8-14)20(23-18)29-13-15-9-6-10-16(22)11-15/h3-11H,12-13H2,1-2H3 |
| InChIKey |
HZKHSOCYVCTNNL-UHFFFAOYSA-N |
| Molecular Weight |
410.467 g/mol |
| SMILES |
C12=C(N(CC3=CC=CC=C3)C(=N1)SCC1=CC(F)=CC=C1)C(N(C)C(N2C)=O)=O |
![1H-Purine-2,6-dione, 8-[[(3-fluorophenyl)methyl]thio]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-](/api/spectrum/FaiN3yEnGi3/structure.png?h=300&w=458 "1H-Purine-2,6-dione, 8-[[(3-fluorophenyl)methyl]thio]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-")
