Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CN2C(=O)C3=C(N=C12)N(C1CCCC1)C(=N)C(=C3)S(=O)(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=KNUMWUMNJWSODS-UHFFFAOYSA-N

Formula

C23H21BrN4O3S

Mass

513.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridopyrimidines

Subclass

Pyrido[2,3-d]pyrimidines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrido[2,3-d]pyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrido[2,3-d]pyrimidine - Benzenesulfonyl group - Methylpyridine - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Sulfone - Lactam - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.

External Descriptors

Not available

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