Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(CSC2=NC(=O)NC3=C2NC=N3)=C1

InChIKey

InChIKey=BYBCYLZKFOFBJE-UHFFFAOYSA-N

Formula

C13H12N4O2S

Mass

288.33

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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

Purinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

6-thiopurine - Purinone - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Ether - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

External Descriptors

Not available

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