Compound Identification
SMILES
CC1(C)C(=O)NC2=C1C(N)=NC(=N2)N1N=C(CC2=C(F)C(F)=CC=C2)C2=C1SC(Cl)=C2
InChIKey
InChIKey=XJRXLXXTLYCGKC-UHFFFAOYSA-N
Formula
C20H15ClF2N6OS
Mass
460.89
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
2,3,5-trisubstituted thiophenes Aminopyrimidines and derivatives Fluorobenzenes Aryl chlorides Imidolactams Aryl fluorides Pyrroles Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - 2,3,5-trisubstituted thiophene - Halobenzene - Aminopyrimidine - Fluorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl fluoride - Benzenoid - Imidolactam - Pyrrole - Pyrazole - Thiophene - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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