Compound Identification
SMILES
CC1CCCN(C1)C1=NC2=C(N1CCSC1=NN=C(C)S1)C(=O)NC(=O)N2C
InChIKey
InChIKey=NIUMYMPGYCCHOA-UHFFFAOYSA-N
Formula
C17H23N7O2S2
Mass
421.54
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
6-oxopurines Alkaloids and derivatives Dialkylarylamines Alkylarylthioethers Pyrimidones Aminoimidazoles N-substituted imidazoles Piperidines Heteroaromatic compounds Vinylogous amides Thiadiazoles Ureas Lactams Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Dialkylarylamine - Pyrimidone - Alkylarylthioether - Aminoimidazole - Piperidine - Pyrimidine - N-substituted imidazole - Thiadiazole - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Urea - Lactam - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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