Compound Identification
SMILES
[Br-].COC1=CC(=CC(OC)=C1OC)C(=O)NC1=CC=[N+](CCCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=IXUVWKLJGANFMD-UHFFFAOYSA-N
Formula
C26H31BrN6O6
Mass
603.474
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 Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones N-substituted imidazoles Pyridinium derivatives Heteroaromatic compounds Vinylogous amides Lactams Ureas Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzoic acid or derivatives - Alkaloid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Benzenoid - Pyrimidine - Pyridinium - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Imidazole - Vinylogous amide - Azole - Heteroaromatic compound - Carboxamide group - Urea - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organic salt - Organic bromide salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic cation - 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