Compound Identification
SMILES
CCOC(=O)C1=CC=C(CN2C(=O)N(C)C3=C(N(C)C(=S)N3)C2=O)C=C1
InChIKey
InChIKey=BZXRLKVOZUWFNH-UHFFFAOYSA-N
Formula
C17H18N4O4S
Mass
374.42
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 Xanthines
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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
Xanthines
Alternative Parents
6-oxopurines Purinethiones Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Pyrimidones N-substituted imidazoles Imidazolethiones Vinylogous amides Heteroaromatic compounds Ureas Thioureas Carboxylic acid esters Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzoate ester - Purinethione - Purinone - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Imidazole-2-thione - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Lactam - Carboxylic acid ester - Urea - Thiourea - Azacycle - Carboxylic acid derivative - 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 xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available