| SpectraBase Spectrum ID |
72uYUvVCLpl |
| Name |
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(3-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.140216383 u |
| Formula |
C21H24N6O2S2 |
| InChI |
InChI=1S/C21H24N6O2S2/c1-13-6-5-9-26(12-13)19-23-17-16(18(28)24-20(29)25(17)2)27(19)10-11-30-21-22-14-7-3-4-8-15(14)31-21/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,24,28,29) |
| InChIKey |
WSYJBEPSKWALCN-UHFFFAOYSA-N |
| Molecular Weight |
456.583 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_5097 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12318338 |
![7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(3-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/72uYUvVCLpl/structure.png?h=300&w=458 "7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(3-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione")
