Structure Information
Structure

Compound Identification

SMILES

CC1CN(C2CCCC2)C2=NC(NC3=CC(Cl)=C(C=C3)C(=O)NC3CCN(C)CC3)=NC=C2N(C)C1=O

InChIKey

InChIKey=QXWNXZBHAPSXMH-UHFFFAOYSA-N

Formula

C27H36ClN7O2

Mass

526.08

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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 - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Para-diazepine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen 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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