Compound Identification
SMILES
CC1=CC(C)=NC(=N1)[NH+]=C(NC(N)=NC(=O)C1=CC=CC=C1)NC1=CC=CC=C1
InChIKey
InChIKey=AQWHOFGHKQYZKM-UHFFFAOYSA-O
Formula
C21H22N7O
Mass
388.454
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 Acylguanidines Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-arylbiguanide - Benzoic acid or derivatives - Benzoyl - Acylguanidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboximidamide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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