Compound Identification
SMILES
CC1CN(C2CCN(CC2)C(=O)CN2C=NC3=C2C(=O)N(C)C(=O)N3C)C(=O)O1
InChIKey
InChIKey=HAQCXUWUVBJZFI-UHFFFAOYSA-N
Formula
C18H24N6O5
Mass
404.427
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 N-acylpiperidines Pyrimidones N-substituted imidazoles Oxazolidinones Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Lactams Ureas Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - N-acyl-piperidine - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Oxazolidinone - Piperidine - Pyrimidine - Azole - Imidazole - Oxazolidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carbamic acid ester - Lactam - Carboxamide group - Urea - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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