Compound Identification
SMILES
Cl.NC1=NC(=CC(=N1)N1C[C@H]2CCCN[C@H]2C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XFQJQPZRYRIKIN-YLCXCWDSSA-N
Formula
C17H21ClN6O2
Mass
376.85
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
Pyrrolopyridines Nitrobenzenes Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Piperidines Heteroaromatic compounds Pyrrolidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Dialkylamines Organic oxides Primary amines Hydrochlorides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrrolopyridine - Nitrobenzene - Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - Piperidine - Pyridine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Pyrrolidine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Primary amine - Organic zwitterion - Organonitrogen compound - Organic salt - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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