Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CCCN[C@H]3CO[C@@H]4[C@H](CO[C@H]34)O[N+]([O-])=O)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=XTEGRRHNMFDROI-YRRQLQLVSA-N

Formula

C16H22N6O7

Mass

410.387

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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 - Alkaloid or derivatives - Furofuran - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Organic nitrate - Oxolane - Heteroaromatic compound - Vinylogous amide - Alkyl nitrate - Urea - Organic nitro compound - Organic nitric acid or derivatives - Lactam - Azacycle - Secondary amine - Oxacycle - Dialkyl ether - Ether - Secondary aliphatic amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organic salt - Organooxygen compound - 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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