Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(C)C=C3)C(NCC3=CC4=C(OCO4)C=C3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=OISSZYYBNWENRO-UHFFFAOYSA-N
Formula
C23H23N5O4
Mass
433.468
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 Alkaloids and derivatives Benzodioxoles Toluenes Secondary alkylarylamines Pyrimidones Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Acetals Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzodioxole - Alkaloid or derivatives - Pyrimidone - Secondary aliphatic/aromatic amine - Toluene - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Acetal - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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