Compound Identification
SMILES
CC(C)=CCN1C(=NC2=C1C(=O)N(CCC1=CC=CC=C1)C(=O)N2CC#C)N1CCCC(C1)NC(=O)OC(C)(C)C
InChIKey
InChIKey=RMGHYJXAEVUEML-UHFFFAOYSA-N
Formula
C31H40N6O4
Mass
560.699
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 Dialkylarylamines Pyrimidones Piperidines N-substituted imidazoles Aminoimidazoles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Carbamate esters Ureas Lactams Acetylides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dialkylarylamine - Pyrimidone - Aminoimidazole - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Piperidine - N-substituted imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Carbamic acid ester - Imidazole - Urea - Lactam - Azacycle - Acetylide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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