Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C1=NC(=NC2=C1C=C(OCC#C)C=C2)C1=NC2=NC=NC=C2N1
InChIKey
InChIKey=QGCSLWYEVVFCML-UHFFFAOYSA-N
Formula
C25H20N6O
Mass
420.476
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
Quinazolines Aromatic monoterpenoids Purines and purine derivatives Phenylpropanes Cumenes Phenol ethers Alkyl aryl ethers Imidazoles Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Quinazoline - Cumene - Imidazopyrimidine - Purine - Phenylpropane - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Ether - Acetylide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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