Compound Identification
SMILES
CC1=CC2=C(C=C1)N=C(NC(=O)CSC1=NC3=C(NC4=CC=CC=C34)C(=O)N1C1=CC=C(Cl)C=C1)S2
InChIKey
InChIKey=UHJNCGQYQKKIFV-UHFFFAOYSA-N
Formula
C26H18ClN5O2S2
Mass
532.03
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
Benzothiazoles Indoles N-arylamides Alkylarylthioethers Pyrimidones Chlorobenzenes Aryl chlorides Thiazoles Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Indole - Indole or derivatives - Pyrrolopyrimidine - Aryl thioether - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl chloride - Azole - Thiazole - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Thioether - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organohalogen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - 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