Compound Identification
SMILES
CC1=C(Cl)C=C(C=C1)N1C(=S)N=C2N(NC=C2C1=O)C(=O)C1=CC=CS1
InChIKey
InChIKey=SACLJPKTBDRXNI-UHFFFAOYSA-N
Formula
C17H11ClN4O2S2
Mass
402.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Thioxanthines
-
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
Thioxanthines
Alternative Parents
Pyrazolo[3,4-d]pyrimidines Thiophene carboxamides Toluenes Pyrimidones Pyrimidinethiones Chlorobenzenes Aryl chlorides Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Chlorobenzene - Halobenzene - Toluene - Pyrimidinethione - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Thiophene - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group.
External Descriptors
Not available