Compound Identification
SMILES
OC(=O)CNCP(O)(O)=O.OC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC1=NC(OC(F)F)=CC(OC(F)F)=N1.CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O
InChIKey
InChIKey=IIVCYCGATPWOID-UHFFFAOYSA-N
Formula
C36H33ClF7N6O19PS
Mass
1085.16
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
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Subclass
Sulfonylureas
- Level 5 Pyrimidinyl-2-sulfonylureas
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Subclass
Sulfonylureas
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Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Sulfonylureas
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidinyl-2-sulfonylureas
Alternative Parents
Diphenylethers Nitrobenzoic acids and derivatives Diarylethers Trifluoromethylbenzenes Alpha amino acids and derivatives Benzoic acid esters Benzenesulfonamides Nitrobenzenes Benzoic acids Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Phenol ethers Nitroaromatic compounds Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Organic phosphonic acids Aminosulfonyl compounds Carboxylic acid esters Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organic salts Organochlorides Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Pyrimidinyl-2-sulfonylurea - Diphenylether - Nitrobenzoate - Diaryl ether - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzoate ester - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyrimidine - Organophosphonic acid - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organophosphonic acid derivative - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary amine - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Alkyl fluoride - Organosulfur compound - Organophosphorus compound - Alkyl halide - Organooxygen compound - Organic salt - Organofluoride - Organochloride - Organic oxygen compound - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a pyrimidine ring which is substituted with a sulfonylurea at the ring 2-position.
External Descriptors
Not available