Compound Identification
SMILES
COC1=CC=C(COC2=CN=C(C=C2OCC2=CC=C(OC)C=C2)C(=O)OCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(O)=O)C=C1
InChIKey
InChIKey=QNNGKBTVTIWLFG-LEAFIULHSA-N
Formula
C30H29N3O9S
Mass
607.63
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
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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
Alpha amino acids and derivatives Cephems Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Azetidines Carboxylic acid esters Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Monoalkylamines Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-alkoxy-2-carboxypyrimidine - Alpha-amino acid or derivatives - Cephem - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Carboxylic acid ester - Azetidine - Carboxamide group - Amino acid or derivatives - Amino acid - Lactam - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic oxide - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Aromatic heteropolycyclic 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