Structure Information
Structure

Compound Identification

SMILES

CNC1=CC=CC=C1C(=O)[C@]1(O)C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC(N)=NC2=O

InChIKey

InChIKey=VYFYYESMHPKEAD-FMTVUPSXSA-N

Formula

C18H22N6O11P2

Mass

560.353

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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 - Organic pyrophosphate - Hypoxanthine - 6-oxopurine - Imidazopyrimidine - Purine - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Monoalkyl phosphate - Alkyl phosphate - Benzenoid - Phosphoric acid ester - Organic phosphoric acid derivative - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Alpha-hydroxy ketone - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Tertiary alcohol - Oxolane - Azacycle - Oxacycle - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Alcohol - Primary amine - 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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