Compound Identification
SMILES
COC1=CC=C(N\C(N)=N\C(\N)=N\C2=NC=CC(N[C@H](C(C)C)C(=O)NCC(F)(F)F)=N2)C=C1
InChIKey
InChIKey=IMHVLIMIKBAZHY-OAHLLOKOSA-N
Formula
C20H26F3N9O2
Mass
481.484
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
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Subclass
Guanidines
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Level 5
Biguanides
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Level 6
Arylbiguanides
- Level 7 1,5-diarylbiguanides
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Level 6
Arylbiguanides
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Level 5
Biguanides
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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
1,5-diarylbiguanides
Alternative Parents
Valine and derivatives Alpha amino acid amides Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Amines Imines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,5-diarylbiguanide - Valine or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Methoxyaniline - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Fatty acyl - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Ether - Carboxylic acid derivative - Amine - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Imine - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,5-diarylbiguanides. These are organonitrogen compounds containing a biguanide that is N-substituted at the 1- and 5- positions with an aryl moiety.
External Descriptors
Not available