Structure Information
Structure

Compound Identification

SMILES

CCN(CC)CCNC(=O)C1=CC(C)=C(N1)\C=C1/C(=O)NC2=C1C(NC1=C(F)C=C(Cl)C=C1)=NC=N2

InChIKey

InChIKey=VYCCLXYWLSXHKT-VBKFSLOCSA-N

Formula

C25H27ClFN7O2

Mass

511.99

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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 - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fluorobenzene - Chlorobenzene - Pyrimidine - Aryl chloride - Benzenoid - Imidolactam - Monocyclic benzene moiety - Substituted pyrrole - Aryl halide - Aryl fluoride - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - 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

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