Compound Identification
SMILES
CCCN1C2=C(N(C=N2)C2=CN=C(OC(C3CNC(=O)C3)C3=CC=C(C=C3)C(F)(F)F)C=C2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=BBNITNVRCNIWNZ-UHFFFAOYSA-N
Formula
C28H29F3N6O4
Mass
570.573
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
Trifluoromethylbenzenes 6-oxopurines Alkaloids and derivatives Pyrimidones Alkyl aryl ethers Pyrrolidine-2-ones Pyridines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Trifluoromethylbenzene - Purinone - Alkaloid or derivatives - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Pyrimidine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Vinylogous amide - Pyrrolidine - Heteroaromatic compound - Azole - Imidazole - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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