Compound Identification
SMILES
CNC1=NC2=C(N1CC(O)COC1=CC=C(Cl)C=C1)C(=O)NC(=O)N2C
InChIKey
InChIKey=ITUNHDZOLRREKF-UHFFFAOYSA-N
Formula
C16H18ClN5O4
Mass
379.8
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 Phenol ethers Alkyl aryl ethers Pyrimidones Chlorobenzenes Aminoimidazoles Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Organochlorides Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Urea - Secondary alcohol - Lactam - Azacycle - Ether - Alcohol - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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