Compound Identification
SMILES
CN1C2=C(N(CCSC3=NC4=CC=CC=C4O3)C(=N2)N2CCCCCC2)C(=O)N(C)C1=O
InChIKey
InChIKey=VPYXFBKVULDVRU-UHFFFAOYSA-N
Formula
C22H26N6O3S
Mass
454.55
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 Alkaloids and derivatives Benzoxazoles Dialkylarylamines Pyrimidones Alkylarylthioethers Azepanes Aminoimidazoles N-substituted imidazoles Benzenoids Vinylogous amides Oxazoles Heteroaromatic compounds Ureas Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzoxazole - Aryl thioether - Dialkylarylamine - Azepane - Pyrimidone - Alkylarylthioether - Benzenoid - N-substituted imidazole - Aminoimidazole - Pyrimidine - Imidazole - Vinylogous amide - Oxazole - Azole - Heteroaromatic compound - Lactam - Urea - Sulfenyl compound - Azacycle - Oxacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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