Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolopyrimidines

Alternative Parents

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

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