Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCC[C@@H]1[C@@H](O)C[N+]2=C3N1C=NC3=C(N)N=C2

InChIKey

InChIKey=WCQHJAUSQOYBCU-DHXVBOOMSA-N

Formula

C21H29N5O4S

Mass

447.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

p-Methylbenzenesulfonates

Alternative Parents

Molecular Framework

Not available

Substituents

P-methylbenzenesulfonate - 6-aminopurine - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Imidazopyrimidine - Purine - 1-sulfo,2-unsubstituted aromatic compound - Aminopyrimidine - Toluene - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - Azacycle - Organoheterocyclic compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.

External Descriptors

Not available

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