Compound Identification
SMILES
O.[Na+].CC1=CC=C(C=C1)C1=C([N-]S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=CN=C1OCCOC1=NC=C(C=N1)C1=CC=CS1
InChIKey
InChIKey=NQKNNFYWNXIFJG-UHFFFAOYSA-N
Formula
C31H32N5NaO5S2
Mass
641.74
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
Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Toluenes Alkyl aryl ethers Thiophenes Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
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 - Thiophene - Ether - Azacycle - Organic alkali metal salt - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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