Compound Identification
SMILES
NC(CCCNC1=NC=C(C2=NN=NN2C2=CC=CC=C2)C(=N1)C1=CC(Cl)=CC=C1)C(O)=O
InChIKey
InChIKey=WQRROZHZJANERX-UHFFFAOYSA-N
Formula
C22H21ClN8O2
Mass
464.91
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
Phenyltetrazoles and derivatives Alpha amino acids Secondary alkylarylamines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Organochlorides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Phenyltetrazole - Alpha-amino acid - Alpha-amino acid or derivatives - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tetrazole - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Primary amine - Organic oxygen compound - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organic oxide - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen 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