Compound Identification
SMILES
CC1=CC(C)=NC(=N1)[NH+]=C(NC(N)=NC(=O)C1=CC=CC=C1)NC1=CC=C(Cl)C=C1
InChIKey
InChIKey=MTMRQYGTZSHNSY-UHFFFAOYSA-O
Formula
C21H21ClN7O
Mass
422.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Guanidines
-
Level 5
Biguanides
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Level 6
Arylbiguanides
- Level 7 1-arylbiguanides
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Level 6
Arylbiguanides
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Level 5
Biguanides
-
Subclass
Guanidines
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Guanidines
Intermediate Tree Nodes
Biguanides - Arylbiguanides
Direct Parent
1-arylbiguanides
Alternative Parents
Benzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Acylguanidines Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-arylbiguanide - Benzoic acid or derivatives - Benzoyl - Acylguanidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboximidamide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-arylbiguanides. These are organonitrogen compounds containing a biguanide that is N-arylsubstituted at only the 1-position.
External Descriptors
Not available