Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(C(=O)N(C)C1=O)[N+](CC(O)=O)=C(NCC1=CC=CC=C1)N2

InChIKey

InChIKey=YOLZAJAWBCMJAB-UHFFFAOYSA-O

Formula

C16H18N5O4

Mass

344.35

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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 - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - Benzylamine - Pyrimidone - N-substituted imidazole - Aminoimidazole - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Urea - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - 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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