Compound Identification
SMILES
CC[C@@H](SC1=NC2=C(NC3=CC=CC=C23)C(=O)N1C1=CC=CC=C1F)C(=O)OC
InChIKey
InChIKey=SWXSUXVSVREYND-MRXNPFEDSA-N
Formula
C21H18FN3O3S
Mass
411.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Indoles Alkylarylthioethers Pyrimidones Fatty acid esters Fluorobenzenes Aryl fluorides Pyrroles Heteroaromatic compounds Methyl esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Indole or derivatives - Pyrrolopyrimidine - Aryl thioether - Fatty acid ester - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Benzenoid - Fatty acyl - Aryl fluoride - Monocyclic benzene moiety - Pyrimidine - Aryl halide - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Thioether - Azacycle - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available