Compound Identification
SMILES
CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)OCCCOCC(CCO[N+]([O-])=O)O[N+]([O-])=O)N(C)S(C)(=O)=O
InChIKey
InChIKey=HVVHLKCBLXPSQF-YSAIISPPSA-N
Formula
C29H40FN5O13S
Mass
717.72
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
Beta hydroxy acids and derivatives Fluorobenzenes Fatty acid esters Organosulfonamides Aryl fluorides Organic sulfonamides Alkyl nitrates Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols Organic nitro compounds Organic nitric acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Beta-hydroxy acid - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Hydroxy acid - Fatty acyl - Benzenoid - Organic nitrate - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkyl nitrate - Aminosulfonyl compound - Sulfonyl - Organic nitro compound - Organic nitric acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic zwitterion - Carbonyl group - Organohalogen compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organonitrogen compound - 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