| SpectraBase Spectrum ID |
L7LQGHKSBcO |
| Name |
2-o-nitrobenzylthio-1-o-nitrobenzyl-5-piperidinomethyl-6-methyluracil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H27N5O5S |
| InChI |
InChI=1S/C25H27N5O5S/c1-18-21(16-27-13-7-2-8-14-27)24(31)26-25(36-17-20-10-4-6-12-23(20)30(34)35)28(18)15-19-9-3-5-11-22(19)29(32)33/h3-6,9-12H,2,7-8,13-17H2,1H3 |
| InChIKey |
DEGGWYJNOFELDH-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/rcm.2338 |
| Molecular Weight |
509.581 g/mol |
| SMILES |
C1(N=C(N(C(=C1CN1CCCCC1)C)Cc1ccccc1[N+]([O-])=O)SCc1c(cccc1)[N+]([O-])=O)=O |
| SPLASH |
splash10-000i-3921000000-72c82b38b34d6a13699c |
| Source of Spectrum |
RCM-20-714-15 |
| Synonyms |
6-Methyl-1-(2-nitrobenzyl)-2-((2-nitrobenzyl)thio)-5-(piperidin-1-ylmethyl)pyrimidin-4(1H)-one |
| Wiley ID |
1820528 |
