Compound Identification
SMILES
CCOC(=O)C1=C(OCC)C=C(C=C1)C1=C(N2C=CSC2=N1)C1=NC(N[C@@H]2CCCNC2)=NC=C1
InChIKey
InChIKey=KECMJNJUDZLTTM-QGZVFWFLSA-N
Formula
C25H28N6O3S
Mass
492.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Secondary alkylarylamines Alkyl aryl ethers Aminopiperidines Aminopyrimidines and derivatives N-substituted imidazoles Thiazoles Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylimidazole - 5-phenylimidazole - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - 3-aminopiperidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Piperidine - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available