Compound Identification
SMILES
CN1C2=C(C(=O)N(C)C1=O)[N+](CC(=O)NC1=CC=CC=C1C#N)=CN2
InChIKey
InChIKey=CQVFBCMLOUFEIH-UHFFFAOYSA-O
Formula
C16H15N6O3
Mass
339.334
Taxonomic Classification
Taxonomy Tree
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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 Anilides Benzonitriles N-arylamides Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary carboxylic acid amides Nitriles Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Anilide - Alkaloid or derivatives - Benzonitrile - N-arylamide - Pyrimidone - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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