Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(Br)C=C3)C(NCC(O)CO)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=HPISLUMVADAQMH-UHFFFAOYSA-N
Formula
C17H20BrN5O4
Mass
438.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
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 Bromobenzenes N-substituted imidazoles Aminoimidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols 1,2-diols Lactams Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides Organobromides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Bromobenzene - Halobenzene - Pyrimidone - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Secondary alcohol - 1,2-diol - Urea - Lactam - Azacycle - Organobromide - Alcohol - Amine - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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