Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CN=C(NC2=CC(OC(=O)N3CCOCC3)=CC=C2)N=C1
InChIKey
InChIKey=AYHJVJSEXOHJIO-UHFFFAOYSA-N
Formula
C22H22N4O4
Mass
406.442
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
Morpholine carboxylic acids Aniline and substituted anilines Anisoles Methoxybenzenes Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Carbamate esters Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Morpholine-4-carboxylic acid - Morpholine-4-carboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Heteroaromatic compound - Carbamic acid ester - Dialkyl ether - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen 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