Compound Identification
SMILES
CN1C2=C(N(CC3=CC=CC=C3Cl)C(NCC3=CC=CC=C3Cl)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=CFNKRSRRLMLDFV-UHFFFAOYSA-N
Formula
C21H19Cl2N5O2
Mass
444.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
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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 Benzylamines Pyrimidones Chlorobenzenes Aminoimidazoles N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzylamine - Chlorobenzene - Halobenzene - Pyrimidone - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Lactam - Urea - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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