Compound Identification
SMILES
CC(C)N1C2=C(N(CC(O)CN3CCN(CC(O)CS(=O)C4=CC=C(C)C=C4)CC3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=OBWDJHXBIPYMFE-UHFFFAOYSA-N
Formula
C26H38N6O5S
Mass
546.69
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 Phenyl sulfoxides N-alkylpiperazines Pyrimidones Toluenes N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Secondary alcohols Trialkylamines 1,2-aminoalcohols Ureas Lactams Sulfoxides Azacyclic compounds Sulfinyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Phenyl sulfoxide - Alkaloid or derivatives - Toluene - N-alkylpiperazine - Pyrimidone - N-substituted imidazole - Benzenoid - Piperazine - Pyrimidine - 1,4-diazinane - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - 1,2-aminoalcohol - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Sulfoxide - Azacycle - Sulfinyl compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Alcohol - Amine - Organic oxygen compound - Organopnictogen 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