Compound Identification
SMILES
CCC1=CN=C(C=C1)C(=O)OC1CN(C)C[N+]1([O-])C1=NC=C(S1)S(=O)(=O)CC
InChIKey
InChIKey=AMUBBJRJMCPFJL-UHFFFAOYSA-N
Formula
C17H22N4O5S2
Mass
426.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridinecarboxylic acids and derivatives
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Level 5
Pyridinecarboxylic acids
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Level 6
Pyridine-2-carboxylic acids
- Level 7 5-alkyl-2-carboxypyrimidines
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Level 6
Pyridine-2-carboxylic acids
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Level 5
Pyridinecarboxylic acids
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Subclass
Pyridinecarboxylic acids and derivatives
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
Direct Parent
5-alkyl-2-carboxypyrimidines
Alternative Parents
2,5-disubstituted thiazoles Sulfones Imidazolidines Heteroaromatic compounds Carboxylic acid esters Trisubstituted amine oxides and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-alkyl-2-carboxypyrimidine - 2,5-disubstituted 1,3-thiazole - Azole - Imidazolidine - Sulfone - Sulfonyl - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Trisubstituted n-oxide - N-oxide - Organic oxygen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
External Descriptors
Not available