Compound Identification
SMILES
CCCN1C2=C(N(C)C(C=CC3=CC(Cl)=CC=C3)=N2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=UGAILPQNQLJXBN-UHFFFAOYSA-N
Formula
C20H23ClN4O2
Mass
386.88
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 Styrenes Pyrimidones Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Styrene - Chlorobenzene - Halobenzene - Pyrimidone - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Aryl chloride - Benzenoid - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Lactam - Urea - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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