Compound Identification
SMILES
CN1C2=C(N(CCCSC3=NN=NN3C3=CC=CC=C3)C(=N2)N2CCCC2)C(=O)NC1=O
InChIKey
InChIKey=WCTXLENZAZPPFM-UHFFFAOYSA-N
Formula
C20H23N9O2S
Mass
453.53
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
Phenyltetrazoles and derivatives 6-oxopurines Alkaloids and derivatives Dialkylarylamines Pyrimidones Alkylarylthioethers Aminoimidazoles N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Pyrrolidines Heteroaromatic compounds Ureas Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltetrazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Dialkylarylamine - Pyrimidone - Alkylarylthioether - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Tetrazole - Pyrrolidine - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Urea - Lactam - Thioether - Azacycle - Sulfenyl compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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