Compound Identification
SMILES
COC(=O)C1=CC=CC(=C1)C1=NC2=CC(=NN2C(=C1)N1CCN(CC1)C(=O)C1=COC=C1)C1=CC(OC)=CC=C1
InChIKey
InChIKey=GFMCXHNXJIUVEM-UHFFFAOYSA-N
Formula
C30H27N5O5
Mass
537.576
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
N-arylpiperazines Phenylpyrazoles Benzoic acid esters Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Methoxybenzenes Furan-3-carboxylic acid and derivatives Dialkylarylamines Benzoyl derivatives Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - N-arylpiperazine - Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Anisole - Furoic acid or derivatives - Benzoyl - Phenol ether - Furan-3-carboxylic acid or derivatives - Phenoxy compound - Dialkylarylamine - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Methyl ester - Furan - Pyrazole - Tertiary amine - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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