Compound Identification
SMILES
O=C(CSC1=NN=C(N1CC1=CC=CO1)C1=NC=CN=C1)NC1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=AMTUYNDKIQDXAT-UHFFFAOYSA-N
Formula
C21H18N6O4S
Mass
450.47
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
N-arylamides Alkyl aryl ethers Alkylarylthioethers Benzenoids Para dioxins Pyrazines Heteroaromatic compounds Furans Triazoles Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Aryl thioether - N-arylamide - Alkyl aryl ether - Alkylarylthioether - Para-dioxin - Pyrazine - Benzenoid - Azole - Furan - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - 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