Compound Identification
SMILES
CN1C2=C(N(CC(O)CCl)C(NCC3=CC=CC=C3)=N2)C(=O)NC1=O
InChIKey
InChIKey=URRVBYLNNMQBCZ-UHFFFAOYSA-N
Formula
C16H18ClN5O3
Mass
363.8
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 Benzylamines Pyrimidones N-substituted imidazoles Aminoimidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Chlorohydrins Azacyclic compounds Hydrocarbon derivatives Amines Alkyl chlorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzylamine - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - Urea - Chlorohydrin - Halohydrin - Lactam - Azacycle - Hydrocarbon derivative - Alkyl chloride - Organohalogen compound - Organochloride - Organic oxygen compound - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Amine - Alkyl halide - 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