Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ 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 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C |
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| IUPAC Name | (8Z)-8-[2-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-3-ylidene]-1,3-di(prop-2-enyl)purine-2,6-dione |
| InChIKey | ZGPHNPBSZODLNU-GFMRDNFCSA-N |
| INCHI | 1S/C27H30N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h4-10,17,30H,1-2,11-16,18H2,3H3/b24-20- |
| Isomeric SMILES | CN1C(=CC(=N1)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=NC5=C(N4)C(=O)N(C(=O)N5CC=C)CC=C |
| Reaxy-Rn | 9677010 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9677010&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 Purinones Alkaloids and derivatives Aniline and substituted anilines Dialkylarylamines Pyrimidones Imidolactams Vinylogous amides Tertiary carboxylic acid amides Pyrazolines Heteroaromatic compounds Ureas Amino acids and derivatives Lactams Ketene acetals Azacyclic compounds Alkylhydrazines Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Xanthine - Purinone - Purine - Alkaloid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrimidone - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazoline - Amino acid or derivatives - Urea - Tertiary amine - Carboxamide group - Ketene acetal or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Alkylhydrazine - Organic oxygen compound - Hydrazine derivative - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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 |
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