| SpectraBase Spectrum ID |
IMhng8yBkZH |
| Name |
5-(4,6-diaminopyrimidin-5-yl)-6-nitrobenzimidazole |
| Alternate Name(s) |
5-(6-nitro-1H-benzimidazol-5-yl)-4,6-pyrimidinediamine
6-amino-5-(6-nitro-1H-benzimidazol-5-yl)-4-pyrimidinylamine |
| CAS Registry Number |
96228-74-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9N7O2 |
| InChI |
InChI=1S/C11H9N7O2/c12-10-9(11(13)17-4-16-10)5-1-6-7(15-3-14-6)2-8(5)18(19)20/h1-4H,(H,14,15)(H4,12,13,16,17) |
| InChIKey |
DPUIYKVHLLWTKU-UHFFFAOYSA-N |
| Molecular Weight |
271.240 g/mol |
| SMILES |
Nc1c(c(ncn1)N)-c1c(N(=O)=O)cc2c(nc[nH]2)c1 |
| SPLASH |
splash10-0udi-0090000000-178ec3055ce8f57e9ab5 |
| Source of Spectrum |
J-50-2461-27 |
| Wiley ID |
1275080 |
