Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=C(OC)C=C(CCN=C(N)CCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1

InChIKey

InChIKey=FOXNQVIHHKGASM-UHFFFAOYSA-N

Formula

C21H29ClN6O4

Mass

464.95

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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 - O-dimethoxybenzene - Dimethoxybenzene - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Amidine - Carboxylic acid amidine - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - 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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