Structure Information
Structure

Compound Identification

SMILES

COCCN1C(=NC2=C1C(=O)NC(=O)N2CC(C)C)C1=CC=C(O1)[N+]([O-])=O

InChIKey

InChIKey=VDOZLJVCWYAVKB-UHFFFAOYSA-N

Formula

C16H19N5O6

Mass

377.357

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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 - Nitroaromatic compound - 2-nitrofuran - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Furan - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Urea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organic nitrogen 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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