Compound Identification
SMILES
CN1C2=C(N(CC3=CC=CC=C3)C(SCC[NH+]3CCOCC3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=SQJIQUBOKHTGAE-UHFFFAOYSA-O
Formula
C20H26N5O3S
Mass
416.52
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 Alkylarylthioethers Pyrimidones Benzene and substituted derivatives Morpholines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Lactams Ureas Dialkyl ethers Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Tertiary amine - Urea - Tertiary aliphatic amine - Lactam - Sulfenyl compound - Thioether - Dialkyl ether - Ether - Azacycle - Oxacycle - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic cation - 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