Compound Identification
SMILES
COC(=O)C1=C(C)N=C(C)N=C1SCC(=O)N(CCC#N)C1=CC(C)=CC(C)=C1
InChIKey
InChIKey=KSKMEKCALVEFLN-UHFFFAOYSA-N
Formula
C21H24N4O3S
Mass
412.51
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
-
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
Anilides m-Xylenes Alkylarylthioethers Vinylogous thioesters Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Tertiary amines Amino acids and derivatives Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-5-carboxylic acid - Anilide - Aryl thioether - M-xylene - Xylene - Alkylarylthioether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Cyanide - 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