Structure Information
Structure

Compound Identification

SMILES

CN1N=CC(CN2C(=O)\C(=C/C3=CC(=CN3)C(O)=O)C3=C2N=C(N)N=C3Cl)=C1C

InChIKey

InChIKey=ICFJNYDIYNJOOL-QCDXTXTGSA-N

Formula

C18H16ClN7O3

Mass

413.82

Export to:

JSON SDF CSV

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 - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxylic acid - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Substituted pyrrole - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Amino acid - Carboxamide group - Lactam - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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

Previous Back Next