Compound Identification
SMILES
COC1=C(OC)C=C(CN2C3=C(NC(=N3)C(C)C)C(=O)NC2=S)C=C1
InChIKey
InChIKey=BWEMYUJRGLFVMT-UHFFFAOYSA-N
Formula
C17H20N4O3S
Mass
360.43
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 Dimethoxybenzenes Phenoxy compounds Anisoles 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Imidazoles Lactams Thioureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Purinone - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Thiopyrimidine - Alkyl aryl ether - 2-thiopyrimidine - Pyrimidone - Pyrimidinethione - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Thiourea - 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