Compound Identification
SMILES
CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](C[C@H](CC(=O)O[N+]([O-])=O)O[N+]([O-])=O)O[N+]([O-])=O)N(C)S(C)(=O)=O
InChIKey
InChIKey=GLCLEJADTYWHMZ-YXWZHEERSA-N
Formula
C22H25FN6O12S
Mass
616.53
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
Fluorobenzenes Organosulfonamides Acyl nitrates Organic sulfonamides Aryl fluorides Alkyl nitrates Aminosulfonyl compounds Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organic salts Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Acyl nitrate - Organosulfonic acid or derivatives - Heteroaromatic compound - Alkyl nitrate - Organic sulfonic acid or derivatives - Organic nitrate - Aminosulfonyl compound - Sulfonyl - Organic nitric acid or derivatives - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic cation - 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