Compound Identification
SMILES
CC1=CC2=C(C=C1C)N=C(NC1=NC(=O)C(CC(O)=O)=C(N1)C1=CC=CC=C1)N2
InChIKey
InChIKey=TUAPITPPLJYKHE-UHFFFAOYSA-N
Formula
C21H19N5O3
Mass
389.415
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
Benzimidazoles Aminopyrimidines and derivatives Pyrimidones Aminoimidazoles Benzene and substituted derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Secondary amines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzimidazole - Aminopyrimidine - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Amine - 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