for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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.
| Canonical Smiles | CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C |
|---|---|
| IUPAC Name | 3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione |
| InChIKey | WDWPMTGDVNFABT-UHFFFAOYSA-N |
| INCHI | 1S/C23H26N8O2S/c1-16-8-9-24-21(25-16)34-15-14-31-18-19(28(2)23(33)27-20(18)32)26-22(31)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9H,10-15H2,1-2H3,(H,27,32,33) |
| Molecular Weight | 478.600 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Xanthines 6-oxopurines Alkaloids and derivatives Aniline and substituted anilines Dialkylarylamines Pyrimidones Alkylarylthioethers Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Sulfenyl compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Aryl thioether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrimidone - Alkylarylthioether - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Tertiary amine - Lactam - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 478.600 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 478.19 Da |
| Monoisotopic Mass | 478.19 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 730.000 |
| 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 |
