Structure Information
Structure

Compound Identification

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1N=C(SCC(=O)C1=CC=C(C=C1)N=[N+]=[N-])N1C=CN=C21

InChIKey

InChIKey=SPZKDSFFAPBMHZ-NUEKZKHPSA-N

Formula

C20H21N8O13P3S

Mass

706.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Purine - Imidazopyrimidine - Phenylazide - Aryl alkyl ketone - Aryl thioether - Benzoyl - Alkylarylthioether - Monoalkyl phosphate - Phosphoric acid ester - N-substituted imidazole - Organic phosphoric acid derivative - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Alkyl phosphate - Oxolane - Azole - Heteroaromatic compound - Imidazole - Azo compound - Azo imide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Thioether - Organic zwitterion - Organic salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aldehyde - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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