7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione
ALDRICH/901747
Synonym: Aryl halide chemistry informer library compound X12
CAS Number: 569351-91-3
Empirical Formula (Hill Notation): C22H28BrN5O5
Molecular Weight: 522.39
Linear Formula: C22H28BrN5O5
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 901747-100MG.
| form | powder or crystals |
| InChI | 1S/C22H28BrN5O5/c1-3-26-2 |
| InChI key | RCJYGWGQCPDYSL-UHFFFAOYSA |
| Application: | This product is Informer compound X12 of the Aryl Halide Chemistry Informer Library  developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S.., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyze a reactions′s successes and shortcomings among different methods and various research teams. It may also be used to faciliate deeper method development for performance or utility. |
| Caution: | Not Fully Tested. |
| Other Notes: | 1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613  2.Nanomole-scale high-throughput chemistry for the synthesis of complex molecules |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| UNSPSC | 12352101 |