Compound Identification
SMILES
CN(C)C(=O)[C@@H]1CC[C@@H](CN1)C1=NC2=C(C=NN2C(N)=C1Br)C1=CN(C)N=C1
InChIKey
InChIKey=DBIJBCDHTPTTEX-GWCFXTLKSA-N
Formula
C18H23BrN8O
Mass
447.341
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid amides
Alternative Parents
Pyrazolo[1,5-a]pyrimidines Piperidinecarboxamides Aminopyrimidines and derivatives Aralkylamines Halopyrimidines Aryl bromides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Pyrazolo[1,5-a]pyrimidine - 2-piperidinecarboxamide - Pyrazolopyrimidine - Piperidinecarboxamide - Aminopyrimidine - Aralkylamine - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Piperidine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Pyrazole - Carboxamide group - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available