Compound Identification
SMILES
CCN(CC)C1=NC=CC(=N1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=FAJSLDJADAPMKW-UHFFFAOYSA-N
Formula
C28H29Cl2N5O3
Mass
554.47
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
Phenoxy compounds Phenol ethers Dichlorobenzenes Dialkylarylamines Alkyl aryl ethers Ketals Aminopyrimidines and derivatives N-substituted imidazoles Aryl chlorides 1,3-dioxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - 1,3-dichlorobenzene - Phenoxy compound - Phenol ether - Dialkylarylamine - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aminopyrimidine - Ketal - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Meta-dioxolane - Imidazole - Azole - Heteroaromatic compound - Acetal - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organopnictogen compound - Organohalogen 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