Compound Identification
SMILES
CC(C)CCN1C(SCC[NH+]2CCOCC2)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=LBYXYGQDKUQDIH-UHFFFAOYSA-O
Formula
C17H28N5O3S
Mass
382.5
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 Alkylarylthioethers Pyrimidones Morpholines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Quaternary ammonium salts Ureas Lactams Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Alkylarylthioether - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Quaternary ammonium salt - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Ether - Dialkyl ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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