Compound Identification
SMILES
CC(C)CCN1C(SC2=NC3=CC=CC=C3O2)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=FNGLLPPNVFOTGL-UHFFFAOYSA-N
Formula
C18H19N5O3S
Mass
385.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Diarylthioethers 6-oxopurines Alkaloids and derivatives Benzoxazoles Pyrimidones Benzenoids N-substituted imidazoles Heteroaromatic compounds Oxazoles Vinylogous amides Ureas Lactams Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Diarylthioether - 6-oxopurine - Purinone - Benzoxazole - Alkaloid or derivatives - Aryl thioether - Pyrimidone - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Oxazole - Azole - Heteroaromatic compound - Imidazole - Lactam - Urea - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - 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