Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CN=C(NC2=CC=C(CN3CCC(C3)C(O)=O)C=C2)N=C1
InChIKey
InChIKey=ONCGOYMXFFUELZ-UHFFFAOYSA-N
Formula
C23H24N4O3
Mass
404.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Pyrrolidine carboxylic acids Phenylmethylamines Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Anisoles Benzylamines Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - Aralkylamine - Aminopyrimidine - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carbonyl group - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available