Compound Identification
SMILES
[Ca++].[O-]C(=O)C1=NC=C(OCCCCCl)C=C1.[O-]C(=O)C1=NC=C(OCCCCCl)C=C1
InChIKey
InChIKey=SUMXLORJRYGFQB-UHFFFAOYSA-L
Formula
C20H22CaCl2N2O6
Mass
497.38
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-alkoxy-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-alkoxy-2-carboxypyrimidines
Alternative Parents
Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid salts Organic metal halides Organic calcium salts Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Not available
Substituents
5-alkoxy-2-carboxypyrimidine - Alkyl aryl ether - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Organic calcium salt - Organic metal halide - Carboxylic acid - Azacycle - Ether - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 5-alkoxy-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkoxy substituent at the 5-position of the pyridine ring.
External Descriptors
Not available