SpectraBase Spectrum ID |
FcINLsgX0dg |
Name |
1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-3,7-dihydro-1,3,7-trimethyl- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
417.169542189 u |
Formula |
C17H23N9O2S |
InChI |
InChI=1S/C17H23N9O2S/c1-23-11-12(24(2)17(28)25(3)13(11)27)21-16(23)29-9-10-19-14(18)22-15(20-10)26-7-5-4-6-8-26/h4-9H2,1-3H3,(H2,18,19,20,22) |
InChIKey |
MIBKBBRWBSLLJI-UHFFFAOYSA-N |
Molecular Weight |
417.492 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_14768 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10260175; Lab Info: SAD; Lab Number: SAD-EXC0028 |