Compound Identification
SMILES
CC1=CC=CC(C)=C1N1C(=S)N=C2NNC=C2C1=O
InChIKey
InChIKey=GDJGMZFECJUMJH-UHFFFAOYSA-N
Formula
C13H12N4OS
Mass
272.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Thioxanthines
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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 m-Xylenes Pyrimidones Pyrimidinethiones Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organosulfur compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Xylene - M-xylene - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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