Compound Identification
SMILES
CC1(C)C=C(CC(OC2=NC(=S)NC(=C2)C2=CC=CC=C2)=C1)OC1=NC(=S)NC(=C1)C1=CC=CC=C1
InChIKey
InChIKey=PTBYUXXEKGDCPX-UHFFFAOYSA-N
Formula
C28H24N4O2S2
Mass
512.65
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
Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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