Compound Identification
SMILES
COC1=CC(C=C(NC(=O)C2=CC=CC=C2)C2=NC3=C(N2)C(=O)NC(=S)N3)=CC(OC)=C1OC
InChIKey
InChIKey=MLZCQCBZBHPDFW-UHFFFAOYSA-N
Formula
C23H21N5O5S
Mass
479.51
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 Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds 2-Thiopyrimidines Alkyl aryl ethers Pyrimidones Pyrimidinethiones Imidazoles Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Lactams Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - 2-thiopyrimidine - Alkyl aryl ether - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Ether - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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