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 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC |
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| IUPAC Name | N-[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]-2-[4-(phenylmethoxy)phenyl]acetamide |
| InChIKey | ZRBMCMRRVYCKPT-VYIQYICTSA-N |
| INCHI | 1S/C30H33N7O4/c1-4-15-36-28-26(29(39)37(16-5-2)30(36)40)32-27(33-28)23-18-24(34-35(23)3)31-25(38)17-20-11-13-22(14-12-20)41-19-21-9-7-6-8-10-21/h6-14,18,34H,4-5,15-17,19H2,1-3H3,(H,31,38)/b27-23- |
| Isomeric SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=NN3C)NC(=O)CC4=CC=C(C=C4)OCC5=CC=CC=C5 |
| Reaxy-Rn | 9677373 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9677373&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 | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | Purinones Phenylacetamides Alkaloids and derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidones Imidolactams Vinylogous amides Heteroaromatic compounds Pyrazolines Ketene acetals Secondary carboxylic acid amides Ureas Lactams Azacyclic compounds Alkylhydrazines Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthine - Purinone - Phenylacetamide - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Pyrimidone - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrazoline - Carboxamide group - Urea - Secondary carboxylic acid amide - Ketene acetal or derivatives - Lactam - Azacycle - Alkylhydrazine - Carboxylic acid derivative - Ether - Hydrazine derivative - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
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Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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