Structure Information
Structure

Compound Identification

SMILES

CCCOC1=CC=C(C=C1)C1NC(CCSC)(C2C1C(=O)N(CC[N+]1=C3C(=NC1)N(C)C(=O)N(C)C3=O)C2=O)C(O)=O

InChIKey

InChIKey=JYFBFZQTGWBWJH-UHFFFAOYSA-O

Formula

C28H35N6O7S

Mass

599.68

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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

2-phenylpyrrolidine - Xanthine - Alpha-amino acid - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - Phenoxy compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Pyrimidone - Aralkylamine - Pyrimidine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Imidolactam - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid imide - Vinylogous amide - Dicarboximide - Pyrrolidine - Amino acid - Amino acid or derivatives - Urea - Lactam - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Secondary aliphatic amine - Ether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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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