Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C(NC(=O)C2=CC=CC=C2)C2=NC3=C(N2)C(=O)NC(=S)N3)C=C1
InChIKey
InChIKey=JOHWGEPCKGADCM-UHFFFAOYSA-N
Formula
C20H14N6O4S
Mass
434.43
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 Nitrobenzenes Benzamides Nitroaromatic compounds Benzoyl derivatives Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Heteroaromatic compounds Vinylogous amides Imidazoles Secondary carboxylic acid amides Thioureas Lactams Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - 2-thiopyrimidine - Pyrimidone - Pyrimidinethione - Thiopyrimidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Thiourea - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organosulfur compound - Organic zwitterion - Hydrocarbon derivative - 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