Compound Identification
SMILES
CC(SC1=NC2=C(N1CC(O)COC1=CC=CC3=CC=CC=C13)C(=O)NC(=O)N2C)C=C
InChIKey
InChIKey=SXTFKLCXBMIFJB-UHFFFAOYSA-N
Formula
C23H24N4O4S
Mass
452.53
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
-
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 Naphthalenes Alkaloids and derivatives Phenol ethers Alkyl aryl ethers Alkylarylthioethers Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Secondary alcohols Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Naphthalene - Purinone - Alkaloid or derivatives - Aryl thioether - Phenol ether - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Secondary alcohol - Lactam - Thioether - Azacycle - Sulfenyl compound - Ether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Alcohol - 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