Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC[NH2+][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-HIFRSBDPSA-O

Formula

C18H23N6O6

Mass

419.417

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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 - Vinylogous amide - Azole - Heteroaromatic compound - Quaternary ammonium salt - Imidazole - Organic nitro compound - Urea - 1,2-aminoalcohol - Secondary alcohol - Lactam - C-nitro compound - Azacycle - Secondary amine - Secondary aliphatic amine - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Amine - Aromatic alcohol - Organic salt - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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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