Compound Identification
SMILES
CN1C2=C(C(=O)N(C)C1=O)[N+](CC(=O)NC1=C[NH+]=CC=C1)=CN2
InChIKey
InChIKey=BOZXBGQHWQVFNC-UHFFFAOYSA-P
Formula
C14H16N6O3
Mass
316.32
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 N-arylamides Pyrimidones N-substituted imidazoles Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ureas Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - N-arylamide - Pyrimidone - N-substituted imidazole - Pyridine - Pyridinium - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Urea - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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