Compound Identification
SMILES
Cl.CN1C2=C(N(CC(O)CNCC3=CN=CC=C3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=PYJGPRRHHNQDBA-UHFFFAOYSA-N
Formula
C16H21ClN6O3
Mass
380.83
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 Pyrimidones Aralkylamines Pyridines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols 1,2-aminoalcohols Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aralkylamine - N-substituted imidazole - Pyridine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Urea - 1,2-aminoalcohol - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Hydrochloride - 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