Structure Information
Structure

Compound Identification

SMILES

CCN1C2=C(NC(\C=C\C3=C(C(OC)=CC=C3)[N+]([O-])=O)=N2)C(=O)N(CC)C1=O

InChIKey

InChIKey=YSBOZOHGKSJUID-MDZDMXLPSA-N

Formula

C18H19N5O5

Mass

385.38

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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

Nitrophenyl ether - Xanthine - 6-oxopurine - Purinone - Nitrobenzene - Methoxyaniline - Alkaloid or derivatives - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Styrene - Nitroaromatic compound - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Organic nitro compound - Lactam - C-nitro compound - Urea - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - 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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