Compound Identification
SMILES
COC(=O)C1=CC(NC2=NC=CC(=N2)C2=CC=C(NC(=O)C(N3CCOCC3)C3=CC=CC=C3)C=C2)=CC=C1
InChIKey
InChIKey=WLYBJKJKXRYQLL-UHFFFAOYSA-N
Formula
C30H29N5O4
Mass
523.593
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
Alpha amino acid amides Aminobenzoic acids and derivatives Phenylacetamides Benzoic acid esters Anilides Aniline and substituted anilines N-arylamides Benzoyl derivatives Aminopyrimidines and derivatives Aralkylamines Morpholines Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - 4-phenylpyrimidine - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Phenylacetamide - Benzoic acid or derivatives - Anilide - Benzoyl - Aniline or substituted anilines - N-arylamide - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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