Compound Identification
SMILES
CC1=CC(NC2=NC(=CC3=NC(C)=CN23)C2=CC(CCC(O)=O)=CC=C2)=NN1
InChIKey
InChIKey=YVJWNCMKNALEFQ-UHFFFAOYSA-N
Formula
C20H20N6O2
Mass
376.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Phenylpropanoic acids Imidazopyrimidines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 3-phenylpropanoic-acid - Imidazopyrimidine - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Pyrazole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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