Compound Identification
SMILES
CC1=C(NC2=CN=C(CN=NC3=NC=C(F)C(=N3)N3CCOCC3)C=C2)C(Cl)=CC=C1
InChIKey
InChIKey=XKJOOBLTWXQCGU-UHFFFAOYSA-N
Formula
C21H21ClFN7O
Mass
441.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Toluenes
- Level 5 Aminotoluenes
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
Aniline and substituted anilines Dialkylarylamines Aminopyridines and derivatives Aminopyrimidines and derivatives Halopyrimidines Chlorobenzenes Primary aromatic amines Aryl chlorides Aryl fluorides Morpholines Imidolactams Heteroaromatic compounds Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkylarylamine - Aminotoluene - Aniline or substituted anilines - Aminopyridine - Aminopyrimidine - Halopyrimidine - Halobenzene - Chlorobenzene - Morpholine - Oxazinane - Aryl halide - Imidolactam - Aryl fluoride - Aryl chloride - Pyrimidine - Pyridine - Primary aromatic amine - Heteroaromatic compound - Azo compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
External Descriptors
Not available