Compound Identification
SMILES
CCCN1C2=C(N(C)C(C=CC3=CC(OC)=C(OC)C=C3)=N2)C(=O)N(CCC)C1=S
InChIKey
InChIKey=OQTKQUDGGXERQW-UHFFFAOYSA-N
Formula
C22H28N4O3S
Mass
428.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
-
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 Dimethoxybenzenes Anisoles Styrenes Phenoxy compounds Alkyl aryl ethers Pyrimidones Pyrimidinethiones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Purinone - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Pyrimidinethione - Pyrimidone - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Imidazole - Vinylogous amide - Azole - Heteroaromatic compound - Lactam - Thiourea - Azacycle - Ether - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen 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