Structure Information
Structure

Compound Identification

SMILES

CN1C=C(Br)C2=C(N=C(NCC3=CN=CC=C3)N=C12)C(=O)C1=CC=CS1

InChIKey

InChIKey=JQLVXMPSWIWPFF-UHFFFAOYSA-N

Formula

C18H14BrN5OS

Mass

428.31

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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 heteropolycyclic compounds

Substituents

Pyrrolo[2,3-d]pyrimidine - Pyrimidine-6-carboxylic acid or derivatives - Pyrrolopyrimidine - Aryl ketone - Thiophene carboxylic acid or derivatives - Aminopyrimidine - Aryl bromide - Aryl halide - N-methylpyrrole - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiophene - Ketone - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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 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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