Compound Identification
SMILES
CCS(=O)(=O)C1=CC(NC2=NC=C(O2)C2=CC=CC(=C2)C2=NC(NC(C)C)=NC=C2)=C(OC)C=C1
InChIKey
InChIKey=ISZNYBDJSFECIV-UHFFFAOYSA-N
Formula
C25H27N5O4S
Mass
493.58
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
Phenyl-1,3-oxazoles Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles 2,5-disubstituted oxazoles Alkyl aryl ethers Aminopyrimidines and derivatives Sulfones Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenyl-1,3-oxazole - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Sulfone - Sulfonyl - Ether - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - 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