Compound Identification
SMILES
COCCN1C=NC2=C1C(=O)N(CC(=O)C1=CC3=C(OCCO3)C=C1)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=OHOINKCWHNFQKR-UHFFFAOYSA-N
Formula
C25H24N4O6
Mass
476.489
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
Subclass
Purines and purine derivatives
-
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 Benzo-1,4-dioxanes Alkaloids and derivatives Aryl alkyl ketones Pyrimidones Alkyl aryl ethers Para dioxins Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzo-1,4-dioxane - Benzodioxane - Purinone - Alkaloid or derivatives - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Para-dioxin - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Ketone - Lactam - Azacycle - Ether - Dialkyl ether - Oxacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen 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