Compound Identification
SMILES
CC(CN1C2=C(NC=N2)C(=O)NC1=S)NCC1=CN=C(C=C1)C(F)(F)F
InChIKey
InChIKey=HJKQRKFQGABIBJ-UHFFFAOYSA-N
Formula
C15H15F3N6OS
Mass
384.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Thioxanthines
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
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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
6-oxopurines 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Aralkylamines Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Imidazoles Thioureas Lactams Dialkylamines Azacyclic compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Purinone - 2-thiopyrimidine - Thiopyrimidine - Aralkylamine - Pyrimidinethione - Pyrimidone - Pyridine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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