Compound Identification
SMILES
COC1=CC=CC=C1N1C(=S)N=C2NNC=C2C1=O
InChIKey
InChIKey=WJLADKHBBKNPMB-UHFFFAOYSA-N
Formula
C12H10N4O2S
Mass
274.3
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
Pyrazolo[3,4-d]pyrimidines Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Pyrimidinethiones Alkyl aryl ethers Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Methoxyaniline - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrimidinethione - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Lactam - Ether - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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