Compound Identification
SMILES
CCCCCCCCN1C(SC2=NC3=CC=CC=C3N2)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=LQMMJPIPGXAMJW-UHFFFAOYSA-N
Formula
C21H26N6O2S
Mass
426.54
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
Diarylthioethers 6-oxopurines Alkaloids and derivatives Benzimidazoles Pyrimidones Benzenoids N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Diarylthioether - 6-oxopurine - Purinone - Benzimidazole - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Pyrimidine - N-substituted imidazole - Benzenoid - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - 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