Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)C1=NC(NC2=CC=CC(=C2)N2CCOCC2)=NC=C1
InChIKey
InChIKey=VRBKKJSGMYCOFW-UHFFFAOYSA-N
Formula
C22H23N5O2
Mass
389.459
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
Phenylmorpholines Acetanilides N-acetylarylamines Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmorpholine - 4-phenylpyrimidine - Acetanilide - N-acetylarylamine - Anilide - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Acetamide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic nitrogen 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