Compound Identification
SMILES
COCCN1C2=C(NC(=N2)C(CC=C)C2=CC=C(NC(C)=O)C=C2)C(=O)NC1=O
InChIKey
InChIKey=XSQUEQHWPUXKAD-UHFFFAOYSA-N
Formula
C20H23N5O4
Mass
397.435
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 Acetanilides N-acetylarylamines Alkaloids and derivatives Pyrimidones Vinylogous amides Imidazoles Acetamides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Anilide - Alkaloid or derivatives - N-arylamide - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Acetamide - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - 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