Compound Identification
SMILES
NC1=NC(=CC(NNC(=O)C2=CC=CO2)=N1)C1=CC(=CC=C1)N1CCCCC1
InChIKey
InChIKey=BRXAVOBBHXMUAR-UHFFFAOYSA-N
Formula
C20H22N6O2
Mass
378.436
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
Phenylpiperidines Furoic acid and derivatives Dialkylarylamines Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Carboxylic acid hydrazides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperidine - 4-phenylpyrimidine - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Piperidine - Benzenoid - Imidolactam - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Primary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen 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