Compound Identification
SMILES
COCCOC1=C(OC)C=C(C=C1)N1CCN(CC2=CC=CC(=C2)C2=CC3=NC(=NN3C(N)=N2)C2=CC=CO2)CC1
InChIKey
InChIKey=FWIJIHFRTMRDGR-UHFFFAOYSA-N
Formula
C30H33N7O4
Mass
555.639
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 Phenylpiperazines Triazolopyrimidines Aminophenyl ethers Methoxyanilines Anisoles Benzylamines Dialkylarylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Aminopyrimidines and derivatives Alkyl aryl ethers N-alkylpiperazines Aralkylamines Heteroaromatic compounds Furans Triazoles Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - 4-phenylpyrimidine - Phenylpiperazine - Triazolopyrimidine - Methoxyaniline - Aminophenyl ether - Phenylmethylamine - Benzylamine - Methoxybenzene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Phenoxy compound - Phenol ether - Anisole - Aralkylamine - Alkyl aryl ether - N-alkylpiperazine - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Piperazine - 1,4-diazinane - Heteroaromatic compound - Furan - 1,2,4-triazole - Azole - Triazole - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Azacycle - Oxacycle - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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