Compound Identification
SMILES
CCC1=C(C(N)=NC(N)=N1)C1=CC(NC(C)=O)=C(Cl)C=C1
InChIKey
InChIKey=PSXDOBPXRIJOMU-UHFFFAOYSA-N
Formula
C14H16ClN5O
Mass
305.77
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
O-haloacetanilides N-acetylarylamines Aminopyrimidines and derivatives Chlorobenzenes Imidolactams Aryl chlorides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - O-haloacetanilide - Haloacetanilide - Acetanilide - Anilide - N-acetylarylamine - N-arylamide - Halobenzene - Aminopyrimidine - Chlorobenzene - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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