Compound Identification
SMILES
COC1=NC(NC(=O)NS(=O)(=O)C2=CC=CC=C2[N+]([O-])=O)=NC2=C1CCC2
InChIKey
InChIKey=QPMQGHZMSBTQFA-UHFFFAOYSA-N
Formula
C15H15N5O6S
Mass
393.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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
Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinyl-2-sulfonylurea - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic salt - Carbonyl group - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic 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