Compound Identification
SMILES
NC(=O)C1CCN(CC1)C(=O)CN1C=NC(=CC1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PVQGCMDYKDLBGM-UHFFFAOYSA-N
Formula
C18H19ClN4O3
Mass
374.83
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
N-acylpiperidines Piperidinecarboxamides Chlorobenzenes Pyrimidones Hydropyrimidines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Lactams Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - N-acyl-piperidine - Piperidinecarboxamide - Halobenzene - Chlorobenzene - Pyrimidone - Benzenoid - Hydropyrimidine - Piperidine - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Primary carboxylic acid amide - Lactam - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - 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