Structure Information
Structure

Compound Identification

SMILES

O=C(NC1=NC(=S)C2=C(N1)N=CN2CCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=LZXNVNAHWSNWGT-UHFFFAOYSA-N

Formula

C21H17N5O3S

Mass

419.46

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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

Purinethiones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Purinethione - Benzamide - Benzoic acid or derivatives - Benzoyl - Pyrimidinethione - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purinethiones. These are purines in which the purine moiety bears a thioketone.

External Descriptors

Not available

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