Compound Identification
SMILES
CC(=O)NC1=CC=CC(CC2=NC3=C(N2)C(=O)N(CC2=CC=CC=C2)C(=O)N3CC2=COC=C2)=C1
InChIKey
InChIKey=SSIAAKNZCXPNDT-UHFFFAOYSA-N
Formula
C26H23N5O4
Mass
469.501
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Acetamides Imidazoles Heteroaromatic compounds Furans Ureas Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Alkaloid or derivatives - Anilide - N-arylamide - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Furan - Imidazole - Heteroaromatic compound - Acetamide - Vinylogous amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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