Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N=CN2C2=NC=C(C=C2)[N+]([O-])=O)C(=O)N(C)C1=O

InChIKey

InChIKey=QELHEWOCJKNTDM-UHFFFAOYSA-N

Formula

C12H10N6O4

Mass

302.25

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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 - Pyrimidone - N-substituted imidazole - Pyridine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Urea - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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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