Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC=C(C)Cl)C(NN=C3C(C(=O)C4=CC=CC=C34)[N+]([O-])=O)=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=WAERZUQYSCYNDH-UHFFFAOYSA-N

Formula

C20H18ClN7O5

Mass

471.86

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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

Indanone - Xanthine - 6-oxopurine - Purinone - Indane - Alkaloid or derivatives - Aryl alkyl ketone - Aryl ketone - Pyrimidone - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Ketone - Lactam - Organic nitro compound - C-nitro compound - Urea - Vinyl chloride - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Haloalkene - Chloroalkene - Organic 1,3-dipolar compound - Vinyl halide - Azacycle - Organic oxoazanium - Hydrazone - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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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