Compound Identification
SMILES
CN1C(OC2=CC=C(C=C3C(=O)NC(=O)NC3=O)C=C2)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=PNCWFHPROKOUGJ-UHFFFAOYSA-N
Formula
C19H16N6O6
Mass
424.373
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
Diarylethers 6-oxopurines Alkaloids and derivatives Barbituric acid derivatives Phenoxy compounds Phenol ethers N-acyl ureas N-substituted imidazoles Diazinanes Vinylogous amides Heteroaromatic compounds Dicarboximides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Barbiturate - Alkaloid or derivatives - Phenoxy compound - Phenol ether - N-acyl urea - Pyrimidone - Ureide - Monocyclic benzene moiety - 1,3-diazinane - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Dicarboximide - Azole - Imidazole - Urea - Carbonic acid derivative - Lactam - Carboxylic acid derivative - Azacycle - Ether - Organopnictogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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