Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.NC([NH2+]C1=NC2=C(C=C(Cl)C=C2)C(=N1)C1=CC=CC=C1[N+]([O-])=O)=NC1=CC=CC=C1
InChIKey
InChIKey=ZLXCUQCCHMHDHD-UHFFFAOYSA-N
Formula
C28H23ClN6O5S
Mass
591.04
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-Methylbenzenesulfonates Quinazolinamines Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
4-phenylpyrimidine - P-methylbenzenesulfonate - Quinazolinamine - Benzenesulfonate - Tosyl compound - Quinazoline - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Nitroaromatic compound - Toluene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Organic nitro compound - Guanidine - C-nitro compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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