Structure Information
Structure

Compound Identification

SMILES

CN1C(OC2=CC=CC(\C=N/NC(N)=S)=C2)=NC2=C1C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=KIKORFCQAOBWQT-LSCVHKIXSA-N

Formula

C16H17N7O3S

Mass

387.42

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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

Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Thiosemicarbazone - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Lactam - Urea - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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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