Compound Identification
SMILES
CC1=NC(SCC2=CC=C(C=C2)C(N)=O)=NC=C1C(=O)NCCNCC1=CC=CC=C1Br
InChIKey
InChIKey=JOBOLECVPGGWAJ-UHFFFAOYSA-N
Formula
C23H24BrN5O2S
Mass
514.44
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 Pyrimidinecarboxamides
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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
Pyrimidinecarboxamides
Alternative Parents
Benzamides Phenylmethylamines Benzoyl derivatives Benzylamines Alkylarylthioethers Aralkylamines Bromobenzenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Dialkylamines Organic oxides Organooxygen compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Pyrimidinecarboxamide - Aryl thioether - Benzoyl - Benzylamine - Phenylmethylamine - Bromobenzene - Halobenzene - Aralkylamine - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Thioether - Secondary amine - Sulfenyl compound - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.
External Descriptors
Not available