Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CCN[C@H](CO)[C@H](O)C3=CC=C(C=C3)[N+]([O-])=O)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=ZZKILQVTUWDOMA-UKRRQHHQSA-N

Formula

C18H22N6O6

Mass

418.41

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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 - Pyrimidone - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - 1,2-aminoalcohol - Lactam - C-nitro compound - Urea - Organic nitro compound - Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Azacycle - Secondary amine - Hydrocarbon derivative - Amine - Organic oxide - Aromatic alcohol - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Organic zwitterion - Organic oxygen compound - 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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