Compound Identification
SMILES
COC1=CC=C(C=C1)N1C2=C(NC(=S)N2)C(=O)N(C1=S)C1=CC=C(OC)C=C1
InChIKey
InChIKey=YPDJENYJTBLSFD-UHFFFAOYSA-N
Formula
C19H16N4O3S2
Mass
412.48
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 Purinethiones Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones Pyrimidinethiones Imidazolethiones Imidazoles Heteroaromatic compounds Vinylogous amides Thioureas Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Purinethione - Purinone - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Imidazole-2-thione - Pyrimidine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Lactam - Thiourea - Azacycle - Ether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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