| SpectraBase Spectrum ID |
BQiJh7k5HD7 |
| Name |
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-hexahydro-1H-azepin-1-yl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C21H24N6O2S2/c1-25-17-16(18(28)24-20(25)29)27(19(23-17)26-10-6-2-3-7-11-26)12-13-30-21-22-14-8-4-5-9-15(14)31-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,24,28,29) |
| InChIKey |
BDBJYORBOCIVNI-UHFFFAOYSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_8941 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: D38828; Labnumber: UZ01F011-2557; SBI_ID: SBI-008944 |
| Temperature |
308 °C |
![7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-hexahydro-1H-azepin-1-yl-3-methyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/BQiJh7k5HD7/structure.png?h=300&w=458 "7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-hexahydro-1H-azepin-1-yl-3-methyl-3,7-dihydro-1H-purine-2,6-dione")
