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Structure Information
Structure

Compound Identification

SMILES

ClC1=NC=C2NC(=O)C3=CC=CC=C3NC2=N1

InChIKey

InChIKey=JQQCNZKVCGQHEY-UHFFFAOYSA-N

Formula

C11H7ClN4O

Mass

246.65

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrimidodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodiazepine - Pyrimidodiazepine - 1,4-benzodiazepine - Para-diazepine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidodiazepines. These are compounds containing a pyrimidoazepine moiety, which consists of a pyrimidine fused to a piperazine ring by a bond. Pyrimidine is 6-membered ring consisting of five carbon atoms and two nitrogen atoms at ring positions 1 and 3. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.

External Descriptors

Not available

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