Compound Identification
SMILES
OC(=O)CCCCC1=NC(NCC2=CC3=C(OCCO3)C=C2)=C2C(SC3=CC=CC=C23)=N1
InChIKey
InChIKey=PHPLYCRBCTZPMX-UHFFFAOYSA-N
Formula
C24H23N3O4S
Mass
449.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
Thienopyrimidines 1-benzothiophenes Medium-chain fatty acids Alkyl aryl ethers Aminopyrimidines and derivatives Heterocyclic fatty acids Para dioxins Imidolactams Benzenoids Thiophenes Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Amines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - 1-benzothiophene - Benzothiophene - Thienopyrimidine - Medium-chain fatty acid - Alkyl aryl ether - Aminopyrimidine - Heterocyclic fatty acid - Para-dioxin - Pyrimidine - Benzenoid - Imidolactam - Fatty acid - Fatty acyl - Thiophene - Heteroaromatic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available