Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C(OCCC[C@@H](CCC(O)=O)C(O)=O)=CC(CC2=CN=C(N)N=C2N)=C1

InChIKey

InChIKey=SZAVCZNFKJSWRN-LBPRGKRZSA-N

Formula

C20H25BrN4O6

Mass

497.346

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Anisole - Phenoxy compound - Medium-chain fatty acid - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Branched fatty acid - Bromobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Aryl bromide - Pyrimidine - Imidolactam - Fatty acid - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Carboxylic acid - Organobromide - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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