Compound Identification
SMILES
CC1=C(Cl)C=C(NC(=O)CSC2=NC3=C(NC4=CC=CC=C34)C(=O)N2C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=GZXGMSXTDFUGRD-UHFFFAOYSA-N
Formula
C25H18ClFN4O2S
Mass
492.95
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
Anilides Indoles N-arylamides Toluenes Pyrimidones Alkylarylthioethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Indole or derivatives - Pyrrolopyrimidine - Anilide - Aryl thioether - N-arylamide - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Pyrimidine - Aryl fluoride - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Thioether - Sulfenyl compound - Azacycle - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organofluoride - 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