| SpectraBase Spectrum ID |
JC2TR1Q4SNi |
| Name |
7-[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethyl-1-piperidinyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.171516512 u |
| Formula |
C23H28N6O2S2 |
| InChI |
InChI=1S/C23H28N6O2S2/c1-14-11-15(2)13-28(12-14)21-25-19-18(20(30)27(4)23(31)26(19)3)29(21)9-10-32-22-24-16-7-5-6-8-17(16)33-22/h5-8,14-15H,9-13H2,1-4H3 |
| InChIKey |
NYFUUMYODUUSGT-UHFFFAOYSA-N |
| Molecular Weight |
484.637 g/mol |
| SMILES |
C12=C(N(CCSC3=NC=4C=CC=CC4S3)C(=N2)N2CC(C)CC(C2)C)C(=O)N(C(N1C)=O)C |
![7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethyl-1-piperidinyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/JC2TR1Q4SNi/structure.png?h=300&w=458 "7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethyl-1-piperidinyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
