Compound Identification
SMILES
COC1=CC=C(CNC2=NC3=C(N2CC2=CC=C(Br)C=C2)C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=ULBZFFRDDCKZHA-UHFFFAOYSA-N
Formula
C22H22BrN5O3
Mass
484.354
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 Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Pyrimidones Alkyl aryl ethers Bromobenzenes Aminoimidazoles N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Lactams Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzylamine - Alkyl aryl ether - Halobenzene - Bromobenzene - Pyrimidone - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Aminoimidazole - N-substituted imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Ether - Azacycle - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - 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