Compound Identification
SMILES
COC1=C(NCC2=CC(NC3=NC=NC4=C3N=C(C)C=C4)=C(C)C=C2)C=C(C=C1NSC)C(C)(C)C
InChIKey
InChIKey=WOICTLZIJCKGDA-UHFFFAOYSA-N
Formula
C28H34N6OS
Mass
502.68
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Phenylmethylamines
- Level 5 Phenylbenzamines
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Subclass
Phenylmethylamines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
Pyridopyrimidines Aminophenyl ethers Methoxyanilines Phenylpropanes Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylalkylamines Aminopyrimidines and derivatives Toluenes Methylpyridines Alkyl aryl ethers Secondary alkylarylamines Imidolactams Heteroaromatic compounds Sulfenyl compounds Organosulfenic acid amides Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzamine - Pyridopyrimidine - Phenylpropane - Methoxyaniline - Aminophenyl ether - Phenoxy compound - Anisole - Phenol ether - Benzylamine - Methoxybenzene - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Aminopyrimidine - Methylpyridine - Toluene - Secondary aliphatic/aromatic amine - Aralkylamine - Imidolactam - Pyridine - Pyrimidine - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Organosulfenic acid amide - Secondary amine - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors
Not available