Compound Identification
SMILES
CN1C(=NC2=C1C(=O)NC(=O)N2C)C1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=YUEBHAMVPWYYCT-UHFFFAOYSA-N
Formula
C17H19Cl2N5O2
Mass
396.27
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Nitrogen mustard compounds Dialkylarylamines Aniline and substituted anilines Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 2-phenylimidazole - Purinone - 6-oxopurine - Alkaloid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Pyrimidone - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Urea - Tertiary amine - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - 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