Compound Identification
SMILES
CN1C(NN\C=C2\C(=O)NC(=S)N(C2=O)C2=CC=C(Cl)C=C2)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=FXAYTKNDTXFTNA-FLIBITNWSA-N
Formula
C19H17ClN8O4S
Mass
488.91
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
-
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 N-phenylthioureas Thiobarbituric acid derivatives Alkaloids and derivatives Chlorobenzenes N-substituted imidazoles Aryl chlorides Diazinanes Vinylogous amides Heteroaromatic compounds Ureas Thioureas Lactams Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrazines and derivatives Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - N-phenylthiourea - Purinone - Alkaloid or derivatives - Thiobarbiturate - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Thiourea - Lactam - Azacycle - Carboxylic acid derivative - Carbonyl group - Hydrazine derivative - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - 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