Compound Identification
SMILES
CC1=CC=CC=C1N1C2=C(N=CN2C2CCCO2)C(=O)N(C1=S)C1=CC=CC=C1C
InChIKey
InChIKey=ZJVYHEIWKNMKTK-UHFFFAOYSA-N
Formula
C23H22N4O2S
Mass
418.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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 Toluenes Pyrimidones Pyrimidinethiones N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Oxacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Purinone - Toluene - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Thiourea - Lactam - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur 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