| SpectraBase Spectrum ID |
8JrSSzh3NmA |
| Name |
2-p-nitrobenzylthio-1-p-nitrobenzyl-5-piperidinomethyl-6-methyluracil |
| Alternate Name(s) |
6-Methyl-1-(4-nitrobenzyl)-2-((4-nitrobenzyl)thio)-5-(piperidin-1-ylmethyl)pyrimidin-4(1H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H27N5O5S |
| InChI |
InChI=1S/C25H27N5O5S/c1-18-23(16-27-13-3-2-4-14-27)24(31)26-25(36-17-20-7-11-22(12-8-20)30(34)35)28(18)15-19-5-9-21(10-6-19)29(32)33/h5-12H,2-4,13-17H2,1H3 |
| InChIKey |
KQYIVAIAAXALFN-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/rcm.2338 |
| Molecular Weight |
509.581 g/mol |
| SMILES |
C1(N=C(N(C(=C1CN1CCCCC1)C)Cc1ccc(cc1)[N+]([O-])=O)SCc1ccc(cc1)[N+]([O-])=O)=O |
| SPLASH |
splash10-001r-9300010000-863459a8da8d9007de16 |
| Source of Spectrum |
RCM-20-714-23 |
| Wiley ID |
1820537 |
