Compound Identification
SMILES
OC(=NC1COC2C(COC12)NC1=NC=CC(=N1)C1=CC=CC(=C1)C#N)N1CCOCC1
InChIKey
InChIKey=LRIHDQKTFJAFSC-UHFFFAOYSA-N
Formula
C22H24N6O4
Mass
436.472
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
Furofurans Benzonitriles Aminopyrimidines and derivatives Morpholines Oxolanes Heteroaromatic compounds Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Dialkyl ethers Carboximidamides Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzonitrile - Furofuran - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Oxolane - Isourea - Carboximidic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Cyanide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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