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 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C |
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| IUPAC Name | ethyl 4-[[2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetyl]amino]benzoate |
| InChIKey | ZGYHEWXZOUTFGG-PYCFMQQDSA-N |
| INCHI | 1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14,30H,5-7,12-13,15H2,1-4H3,(H,27,34)/b22-18- |
| Isomeric SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=NN3C)OCC(=O)NC4=CC=C(C=C4)C(=O)OCC |
| Reaxy-Rn | 9676781 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9676781&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Xanthines Benzoic acid esters Purinones Alkaloids and derivatives Anilides Benzoyl derivatives N-arylamides Pyrimidones Imidolactams Vinylogous amides Pyrazolines Heteroaromatic compounds Ureas Carboxylic acid esters Secondary carboxylic acid amides Ketene acetals Lactams Alkylhydrazines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Xanthine - Benzoate ester - Purinone - Purine - Alkaloid or derivatives - Anilide - Benzoyl - N-arylamide - Pyrimidone - Pyrimidine - Imidolactam - Pyrazoline - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Urea - Alkylhydrazine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrazine derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
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