Compound Identification
SMILES
CN1CCN(CC1)C1=NC2=C(C=C(C=C2)[N+]([O-])=O)C(=N1)C1=CC=CC=C1Cl
InChIKey
InChIKey=PWPGORNWTQIITN-UHFFFAOYSA-N
Formula
C19H18ClN5O2
Mass
383.84
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-arylpiperazines Quinazolinamines Dialkylarylamines Nitroaromatic compounds N-methylpiperazines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - 4-phenylpyrimidine - Quinazolinamine - Quinazoline - Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - N-methylpiperazine - N-alkylpiperazine - Chlorobenzene - Halobenzene - Aryl chloride - Piperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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