Compound Identification
SMILES
ONC(=O)CCC(=O)NC1=C(SC=C1)C1=NC(=O)C(OCC2=C(F)C=CC(F)=C2)=C(N1)C(O)=O
InChIKey
InChIKey=XPSIVDILUQUTEK-UHFFFAOYSA-N
Formula
C20H16F2N4O7S
Mass
494.43
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
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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 N-arylamides Alkyl aryl ethers Pyrimidones Fluorobenzenes Aryl fluorides Fatty amides Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Hydroxamic acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - N-arylamide - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyrimidone - Hydropyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Thiophene - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Hydroxamic acid - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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