SpectraBase Spectrum ID |
22oT5F0ZHRL |
Name |
3-pyridinecarbonitrile, 2-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-4-(4-methoxyphenyl)-6-phenyl- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
511.179044245 u |
Formula |
C27H25N7O2S |
InChI |
InChI=1S/C27H25N7O2S/c1-35-20-9-7-18(8-10-20)21-15-23(19-5-3-2-4-6-19)30-25(22(21)16-28)37-17-24-31-26(29)33-27(32-24)34-11-13-36-14-12-34/h2-10,15H,11-14,17H2,1H3,(H2,29,31,32,33) |
InChIKey |
GYMDBUCAWUPVHO-UHFFFAOYSA-N |
Molecular Weight |
511.604 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_11946 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/10024494; Lab Info: NKS; Lab Number: NKS-2000018 |