Compound Identification
SMILES
COC1=CC=C(NC(NC(N)=NC(=O)C2=CC=CC=C2)=[NH+]C2=NC(C)=CC(C)=N2)C=C1
InChIKey
InChIKey=CMQBTHGPZHRMAI-UHFFFAOYSA-O
Formula
C22H24N7O2
Mass
418.48
Taxonomic Classification
Taxonomy Tree
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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
Methoxyanilines Benzoic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Acylguanidines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Carboximidamides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-arylbiguanide - Methoxyaniline - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Acylguanidine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carboximidamide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - 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