Compound Identification
SMILES
O=CC1=NC=C(NC2=NC=CC(=N2)C2=CC(C#N)=C(OC3CCOCC3)C=C2)C=C1
InChIKey
InChIKey=YRRTXIZDWLQSFJ-UHFFFAOYSA-N
Formula
C22H19N5O3
Mass
401.426
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
Pyridine carboxaldehydes Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Aminopyridines and derivatives Aminopyrimidines and derivatives Aryl-aldehydes Oxanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Nitriles Dialkyl ethers Hydrocarbon derivatives Organic oxides Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzonitrile - Phenol ether - 2-pyridine carboxaldehyde - Phenoxy compound - Aminopyridine - Aminopyrimidine - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Oxane - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Cyanide - Organic oxide - Aldehyde - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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