Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC(NC2COC3C(COC23)NC(O)=NC2=CC=CC(=C2)C#N)=NC=C1
InChIKey
InChIKey=ABBGHJJBHAIDHI-UHFFFAOYSA-N
Formula
C25H24N6O4
Mass
472.505
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 Anisoles Methoxybenzenes Benzonitriles Furofurans Alkyl aryl ethers Aminopyrimidines and derivatives Oxolanes Heteroaromatic compounds Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Nitriles Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenoxy compound - Anisole - Benzonitrile - Furofuran - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxolane - Isourea - Oxacycle - Carboximidic acid derivative - Dialkyl ether - Ether - Azacycle - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen 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