Compound Identification
SMILES
OC(=O)C1=C(O)C(=O)N=C(N1)C1=C(NC(=O)CC2=CSC3=CC=CC=C23)C=CS1
InChIKey
InChIKey=YAVCDOHXIACIMS-UHFFFAOYSA-N
Formula
C19H13N3O5S2
Mass
427.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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
1-benzothiophenes Hydropyrimidine carboxylic acids and derivatives N-arylamides Pyrimidones Hydroxypyrimidines Benzenoids Vinylogous amides Vinylogous acids Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - Hydropyrimidine carboxylic acid derivative - 1-benzothiophene - Pyrimidine-6-carboxylic acid - N-arylamide - Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic 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