Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC(O)COC3=CC=C(C=C3)[N+]([O-])=O)C(OC(=O)C3=CC=CC=C3)=N2)C(=O)NC1=O

InChIKey

InChIKey=QFAAKLHXFRMFHA-UHFFFAOYSA-N

Formula

C22H19N5O8

Mass

481.421

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Taxonomic Classification

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthine - Nitrophenyl ether - 6-oxopurine - Purinone - Benzoate ester - Nitrobenzene - Alkaloid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Pyrimidone - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Secondary alcohol - C-nitro compound - Organic nitro compound - Lactam - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Ether - Organic zwitterion - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - 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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