Structure Information
Structure

Compound Identification

SMILES

CC(C)OCC(O)CN1C(NN=CC2=CC=C(C=C2)N(C)C)=NC2=C1C(=O)NC(=O)N2C

InChIKey

InChIKey=ZUMROTAQVRFEEU-UHFFFAOYSA-N

Formula

C21H29N7O4

Mass

443.508

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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 - 6-oxopurine - Purinone - Alkaloid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Tertiary amine - Secondary alcohol - Lactam - Azacycle - Dialkyl ether - Ether - Hydrazone - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Alcohol - 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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