Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=O)C2=C(N1)N=C1C(C3=CC=C(Cl)C=C3)S(=O)(=O)C(C1=N2)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=LFCAWRMKXCZRLH-UHFFFAOYSA-N

Formula

C20H13Cl2N5O3S

Mass

474.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pteridines and derivatives

Subclass

Pterins and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pterins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pterin - Aminopyrimidine - Chlorobenzene - Halobenzene - Pyrimidone - Aryl halide - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Aryl chloride - Benzenoid - Heteroaromatic compound - Sulfone - Vinylogous amide - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.

External Descriptors

Not available

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