Compound Identification
SMILES
CC[C@@H](SC1=NC2=C(NC3=CC=CC=C23)C(=O)N1C1=CC=CC=C1F)C(O)=O
InChIKey
InChIKey=XETHMYUYXHOAQR-OAHLLOKOSA-N
Formula
C20H16FN3O3S
Mass
397.42
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 Thia fatty acids Alkylarylthioethers Pyrimidones Fluorobenzenes Aryl fluorides Pyrroles Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Indole or derivatives - Pyrrolopyrimidine - Aryl thioether - Fluorobenzene - Halobenzene - Pyrimidone - Thia fatty acid - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Fatty acyl - Benzenoid - Heteroaromatic compound - Pyrrole - Lactam - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - 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