Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(O)N(CC2=CC=C(OC(C)=O)C=C2)C2=NC3=C(N2C1=O)C(=O)N(C)C(=O)N3C

InChIKey

InChIKey=UVBVRNIPGKXXNY-UHFFFAOYSA-N

Formula

C22H23N5O6

Mass

453.455

Export to:

JSON SDF CSV

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 - Purinone - Phenol ester - 6-oxopurine - Imidazo[1,2-a]pyrimidine - Alkaloid or derivatives - Phenoxy compound - Hydroxypyrimidine - Pyrimidone - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Imidazole - Azole - Urea - Lactam - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

Previous Back Next