Compound Identification
SMILES
OCC1=CC=C(NC(=O)NC2=CC=C(C=C2)C2=NC(=CC(=N2)N2CC3CCC(C2)O3)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=OCKRNKTUOCUOOL-UHFFFAOYSA-N
Formula
C30H29N5O3
Mass
507.594
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-phenylureas Dialkylarylamines Benzyl alcohols Aminopyrimidines and derivatives Azepanes Morpholines Imidolactams Oxolanes Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Aromatic alcohols Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - N-phenylurea - Benzyl alcohol - Dialkylarylamine - Aminopyrimidine - Azepane - Monocyclic benzene moiety - Morpholine - Oxazinane - Imidolactam - Benzenoid - Heteroaromatic compound - Oxolane - Urea - Tertiary amine - Dialkyl ether - Azacycle - Ether - Oxacycle - Primary alcohol - Organonitrogen compound - Alcohol - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - 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