Structure Information
Structure

Compound Identification

SMILES

CC[NH+](CC)CCNC1=NC2=C(N1C[C@H](O)COC1=CC=CC(CC)=C1)C(=O)N=C([O-])N2C

InChIKey

InChIKey=OHANGPWJLZQUMJ-KRWDZBQOSA-N

Formula

C23H34N6O4

Mass

458.563

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Azole - Imidazole - Vinylogous amide - Tertiary aliphatic amine - Secondary alcohol - Azacycle - Ether - Secondary amine - Organic zwitterion - Organic salt - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - 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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