Compound Identification
SMILES
CCCCCN1C(SCC(=O)NC2=CC=CC=C2)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=QOKRXJANAYLSNH-UHFFFAOYSA-N
Formula
C19H23N5O3S
Mass
401.49
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 Alkaloids and derivatives Anilides N-arylamides Alkylarylthioethers Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Anilide - Alkaloid or derivatives - Aryl thioether - N-arylamide - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Imidazole - Vinylogous amide - Azole - Heteroaromatic compound - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - 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