Compound Identification
SMILES
COC1=CC=CC=C1CNC1=NC2=C(N1)C(=O)N(CCCCC(C)O)C(=O)N2C
InChIKey
InChIKey=JWRRKEJGJVBGFW-UHFFFAOYSA-N
Formula
C20H27N5O4
Mass
401.467
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 Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers Pyrimidones Aminoimidazoles Heteroaromatic compounds Vinylogous amides Lactams Secondary alcohols Ureas Azacyclic compounds Organic oxides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anisole - Benzylamine - Phenol ether - Phenoxy compound - Methoxybenzene - Pyrimidone - Alkyl aryl ether - Benzenoid - Aminoimidazole - Pyrimidine - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Secondary alcohol - Lactam - Ether - Azacycle - Alcohol - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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