Compound Identification
SMILES
COC1=CC=CC=C1OC[C@@H](O)CN1C(SCC(=O)NC2=CC=CC=C2)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=BTMUJFCUNKNLJE-INIZCTEOSA-N
Formula
C24H25N5O6S
Mass
511.55
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 Anilides Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Anilide - Alkaloid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Aryl thioether - N-arylamide - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Benzenoid - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Secondary alcohol - Sulfenyl compound - Ether - Carboxylic acid derivative - Azacycle - Thioether - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur 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