Compound Identification
SMILES
CN1C(=O)C2=C(N=C1S(C)(=O)=O)C(C#N)=C(N2CC1=CC=CC=C1Cl)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
InChIKey
InChIKey=YKXFCCSZYARYJT-QGZVFWFLSA-N
Formula
C26H31ClN6O5S
Mass
575.08
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
Dialkylarylamines Chlorobenzenes Pyrimidones Aryl chlorides Substituted pyrroles Piperidines Heteroaromatic compounds Sulfones Carbamate esters Lactams Nitriles Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Dialkylarylamine - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carbamic acid ester - Sulfonyl - Sulfone - Lactam - Azacycle - Carbonitrile - Nitrile - Carbonyl group - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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