Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CN2[C@H](CCN1)NC(=O)C1=C2C=CC(Cl)=C1Cl

InChIKey

InChIKey=XNWPRBFXLGKZAT-OIBJUYFYSA-N

Formula

C13H15Cl2N3O

Mass

300.18

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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

Pyrimidodiazepine - Quinazoline - Dialkylarylamine - 1,4-diazepane - Diazepane - Aryl chloride - Aryl halide - Benzenoid - Vinylogous amide - Vinylogous halide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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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