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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
-
Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Medium-chain fatty acids Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Branched fatty acids Bromobenzenes Halogenated fatty acids Heterocyclic fatty acids Dicarboxylic acids and derivatives Aryl bromides Imidolactams Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Primary amines Organopnictogen compounds Organic oxides Organobromides
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