Compound Identification
SMILES
CC1=C2C(NN1C1=NN=C(CC3=CC=CC=C3)C3=CC=CC=C13)=NC(=S)NC2=S
InChIKey
InChIKey=FGRQPYDMJPVQTL-UHFFFAOYSA-N
Formula
C21H16N6S2
Mass
416.52
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 Dithioxanthines
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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
Dithioxanthines
Alternative Parents
Phthalazines Pyrazolo[3,4-d]pyrimidines Pyrimidinethiones 2-Thiopyrimidines Pyridazines and derivatives Benzene and substituted derivatives Thiolactams Pyrazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dithioxanthine - Phthalazine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Benzenoid - Pyridazine - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Thiolactam - Azacycle - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dithioxanthines. These are compounds containing a dithioxanthine moiety, a xanthine derivative obtained by replacing the two ketone groups by two thioketone groups.
External Descriptors
Not available