Compound Identification
SMILES
OC(=O)C1=NC(=CN=C1)C1=C(CCC1)C1=C(OCC2=C(F)C=C(Br)C=C2)C=CC(Cl)=C1
InChIKey
InChIKey=SHYDAPXDTLUWAG-UHFFFAOYSA-N
Formula
C23H17BrClFN2O3
Mass
503.75
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrazines
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Level 5
Pyrazine carboxylic acids and derivatives
- Level 6 Pyrazine carboxylic acids
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Level 5
Pyrazine carboxylic acids and derivatives
-
Subclass
Pyrazines
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Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrazines
Intermediate Tree Nodes
Pyrazine carboxylic acids and derivatives
Direct Parent
Pyrazine carboxylic acids
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Chlorobenzenes Fluorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Organic oxides Organonitrogen compounds Organobromides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazine carboxylic acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
External Descriptors
Not available