Compound Identification
SMILES
CCCN1C2=C(NC(CCNC(=O)CBr)=N2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=OEFKTFICMZQWRC-UHFFFAOYSA-N
Formula
C15H22BrN5O3
Mass
400.277
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Pyrimidones Vinylogous amides Heteroaromatic compounds Imidazoles Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organobromides Alkyl bromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl bromide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available