Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=CDNHSPOOIPWFPF-ZHACJKMWSA-N

Formula

C19H21N5O5

Mass

399.407

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