Compound Identification
SMILES
NC1=CC=C(C=C1)C(=O)NC(=CC1=CC(=CC=C1)[N+]([O-])=O)C1=NC2=C(N1)C(=O)NC(=S)N2
InChIKey
InChIKey=KGOUFUXEYDIKOB-UHFFFAOYSA-N
Formula
C20H15N7O4S
Mass
449.45
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 Aminobenzamides Benzamides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Pyrimidinethiones Pyrimidones 2-Thiopyrimidines Vinylogous amides Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Thioureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Primary amines Organic salts Organic zwitterions Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Aminobenzamide - Aminobenzoic acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Aniline or substituted anilines - Benzoyl - 2-thiopyrimidine - Pyrimidone - Pyrimidinethione - Thiopyrimidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Thiourea - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Lactam - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Primary amine - Organic salt - 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