Structure Information
Structure

Compound Identification

SMILES

NS(=O)(=O)OC[C@@H]1CC[C@@H](C1)NC1=NC=NC=C1C(=O)C1=NN(CC2=C(Cl)C=CC(I)=C2)C=C1

InChIKey

InChIKey=UBLSTODGGVBFQJ-CJNGLKHVSA-N

Formula

C21H22ClIN6O4S

Mass

616.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidinecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidine-5-carboxylic acid or derivatives - Aryl ketone - Secondary aliphatic/aromatic amine - Iodobenzene - Halobenzene - Chlorobenzene - Aminopyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Pyrazole - Organic sulfuric acid or derivatives - Azole - Ketone - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).

External Descriptors

Not available

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