Compound Identification
SMILES
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc([nH]c(=O)n1)-c1ccc(cc1)[N+]([O-])=O
InChIKey
InChIKey=XMNLGRPAQXNQJC-UHFFFAOYSA-N
Formula
C23H18N4O5S
Mass
462.48
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
P-toluenesulfonamides Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Pyrimidones Organosulfonamides Hydropyrimidines Aminosulfonyl compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic zwitterions Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - 4-phenylpyrimidine - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Sulfanilide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Toluene - Pyrimidone - Hydropyrimidine - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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