Compound Identification
SMILES
[Na+].CCO.COC1=CN=C(OCCOC2=NC=NC([N-]S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)=C2C2=CC=C(C)C=C2)N=C1
InChIKey
InChIKey=PTURESQGCAZWIM-UHFFFAOYSA-N
Formula
C30H36N5NaO6S
Mass
617.7
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Toluenes Alkyl aryl ethers Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
5-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ether - Azacycle - Organic alkali metal salt - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organic sodium salt - Organic salt - Organic zwitterion - 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