Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC(COC3=CC=C(C=C3)[N+]([O-])=O)OC(C)=O)C(=N2)N2CCOCC2)C(=O)NC1=O

InChIKey

InChIKey=QVFXHHVGRIDFNQ-UHFFFAOYSA-N

Formula

C21H24N6O8

Mass

488.457

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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

Nitrophenyl ether - Xanthine - 6-oxopurine - Purinone - Nitrobenzene - Alkaloid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Organic nitro compound - Urea - Carboxylic acid ester - Lactam - C-nitro compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen 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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