for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)N(C(=O)N3C)C |
|---|---|
| IUPAC Name | 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione |
| InChIKey | GIZBPVWMJNMGLS-UHFFFAOYSA-N |
| INCHI | 1S/C20H27N7O2S/c1-13-6-9-26(10-7-13)19-23-16-15(17(28)25(4)20(29)24(16)3)27(19)11-12-30-18-21-8-5-14(2)22-18/h5,8,13H,6-7,9-12H2,1-4H3 |
| Peso molecular | 429.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | 6-oxopurines Alkaloids and derivatives Dialkylarylamines Alkylarylthioethers Pyrimidones Aminoimidazoles Piperidines N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dialkylarylamine - Aryl thioether - Alkylarylthioether - Pyrimidone - N-substituted imidazole - Pyrimidine - Piperidine - Aminoimidazole - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Urea - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
| External Descriptors | Not available |
| Peso molecular | 429.500 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 429.195 Da |
| Monoisotopic Mass | 429.195 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
