Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(C=CC2=NC3=C(N2C)C(=O)N(CC#C)C(=O)N3CCCOP(O)(O)=O)=C1

InChIKey

InChIKey=DUCGTTGSVYZHJS-UHFFFAOYSA-N

Formula

C21H23N4O7P

Mass

474.41

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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 - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monoalkyl phosphate - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Acetylide - Azacycle - Ether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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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