Compound Identification
SMILES
CN1\C(NC2=C1C(=O)NC(=O)N2CC1=CC=CC=C1)=C1/C=C(Cl)C=CC1=O
InChIKey
InChIKey=QNYKBWZHDRGFMB-DTQAZKPQSA-N
Formula
C19H15ClN4O3
Mass
382.8
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Purinones Alkaloids and derivatives O-quinomethanes Pyrimidones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Ureas Ketene acetals Lactams Chloroalkenes Vinyl chlorides Azacyclic compounds Hydrocarbon derivatives Organochlorides Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - Alkaloid or derivatives - O-quinomethane - Quinomethane - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketene acetal or derivatives - Ketone - Lactam - Cyclic ketone - Urea - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen 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