Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C1=NC(=S)N(CC2=CC(OCCO)=CC=C2)C2=C1C=C(OCC#C)C=C2
InChIKey
InChIKey=WNUBXSUKNMGDHX-UHFFFAOYSA-N
Formula
C29H28N2O3S
Mass
484.61
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 Bicyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Pyrimidinethiones Alkyl aryl ethers Heteroaromatic compounds Acetylides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Primary alcohols Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Diazanaphthalene - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Quinazoline - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Pyrimidinethione - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Acetylide - Ether - Organopnictogen compound - Alcohol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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