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Structure Information
Structure

Compound Identification

SMILES

CN1C(\C=C\C2=CC=CC=C2[N+]([O-])=O)=NC2=C1C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=ZRMBLIXJCMIHLX-CMDGGOBGSA-N

Formula

C16H15N5O4

Mass

341.327

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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 - Nitrobenzene - Alkaloid or derivatives - Nitroaromatic compound - Styrene - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Organic nitro compound - Lactam - C-nitro compound - Urea - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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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