Compound Identification
SMILES
CCCCN1C(S)NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=PXKLAVLXPVPGKD-UHFFFAOYSA-N
Formula
C10H16N4O2S
Mass
256.32
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
Purinones Alkaloids and derivatives Dialkylarylamines Pyrimidones Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Alkylthiols Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - Alkaloid or derivatives - Dialkylarylamine - Pyrimidone - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Alkylthiol - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen 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