Compound Identification
SMILES
C[C@H]1CN2C(=NC3=C2C(=O)N(CC[NH+]2CCCCC2)C(=O)N3C)N(C1)C1CCCCC1
InChIKey
InChIKey=ZYLDVQZIUCRGSV-QGZVFWFLSA-O
Formula
C23H37N6O2
Mass
429.588
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 N-substituted imidazoles Piperidines Vinylogous amides Heteroaromatic compounds Quaternary ammonium salts Lactams Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dialkylarylamine - Pyrimidone - N-substituted imidazole - Piperidine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic cation - 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