Compound Identification
SMILES
CCCN1C(=O)N(CCC2=CC=C(NC(C)=O)C=C2)C2=C(N(CCNCC(O)CC)C(CC3=CN=CN=C3)=N2)C1=O
InChIKey
InChIKey=GKZQJJDQSVIQJX-UHFFFAOYSA-N
Formula
C29H38N8O4
Mass
562.675
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 Acetanilides Alkaloids and derivatives N-acetylarylamines Pyrimidones N-substituted imidazoles Vinylogous amides Acetamides Heteroaromatic compounds 1,2-aminoalcohols Ureas Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Lactams Azacyclic compounds Dialkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Alkaloid or derivatives - Anilide - N-arylamide - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Acetamide - Vinylogous amide - Amino acid or derivatives - Urea - Secondary carboxylic acid amide - Secondary alcohol - Lactam - 1,2-aminoalcohol - Carboxamide group - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - 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