Compound Identification
SMILES
COC(=O)C1=CC(=O)N(C(SC)=N1)C1=CC=C(OC)C=C1
InChIKey
InChIKey=PDZRKWLEPWRDDX-UHFFFAOYSA-N
Formula
C14H14N2O4S
Mass
306.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
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Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxylic acids
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Level 5
Pyrimidinecarboxylic acids and derivatives
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxylic acids
Alternative Parents
Hydropyrimidine carboxylic acids and derivatives Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrimidones Alkylarylthioethers Heteroaromatic compounds Methyl esters Lactams Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Methoxyaniline - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
External Descriptors
Not available