Compound Identification
SMILES
CC[NH+](CC)CCSC1=NC2=C(NC3=CC=CC=C23)C(=O)N1C1=CC=CC=C1F
InChIKey
InChIKey=WITARHOOBDKCPQ-UHFFFAOYSA-O
Formula
C22H24FN4OS
Mass
411.52
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 Fluorobenzenes Pyrimidones Aryl fluorides Quaternary ammonium salts Heteroaromatic compounds Pyrroles Lactams Trialkylamines Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Indole or derivatives - Pyrrolopyrimidine - Aryl thioether - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Quaternary ammonium salt - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Lactam - Azacycle - Sulfenyl compound - Thioether - Amine - Organosulfur compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic cation - 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