Compound Identification
SMILES
CN1C2=C(N(CCSC3=NN=NN3C3=CC=CC=C3)C(=N2)N2CCC(CC2)C(N)=O)C(=O)NC1=O
InChIKey
InChIKey=PEKSUBRYHSZKQB-UHFFFAOYSA-N
Formula
C21H24N10O3S
Mass
496.55
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
Phenyltetrazoles and derivatives 6-oxopurines Alkaloids and derivatives Piperidinecarboxamides Dialkylarylamines Pyrimidones Alkylarylthioethers Aminoimidazoles N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Ureas Primary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltetrazole - Xanthine - 6-oxopurine - Purinone - Piperidinecarboxamide - Alkaloid or derivatives - Aryl thioether - Dialkylarylamine - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Aminoimidazole - Piperidine - Imidazole - Heteroaromatic compound - Azole - Tetrazole - Vinylogous amide - Lactam - Carboxamide group - Urea - Primary carboxylic acid amide - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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