Compound Identification
SMILES
CN(CC1=CC=C(F)C=C1)C(=O)CSC1=NN=C([C@H]2COC3=CC=CC=C3O2)N1C
InChIKey
InChIKey=DMRPPTQUTFXEDW-GOSISDBHSA-N
Formula
C21H21FN4O3S
Mass
428.48
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
Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Para dioxins Aryl fluorides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Aryl thioether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - 1,2,4-triazole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Sulfenyl compound - Azacycle - Oxacycle - Ether - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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