Compound Identification
SMILES
CN1CCN(CCOC2=CC=C(NC3=NC(=CC(C)=N3)C3=CC=C(OCCC4=CC=C(Cl)C=C4)C=C3)C=C2)CC1
InChIKey
InChIKey=ZJUXTERELMRWQZ-UHFFFAOYSA-N
Formula
C32H36ClN5O2
Mass
558.12
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 Aniline and substituted anilines N-methylpiperazines Chlorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Piperazine - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic oxygen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen 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