Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC2=NC=C3N(C)C(=O)CCN(C4CCCCC4)C3=N2)C=CC(=C1)C(=O)NN1CCN(C)CC1

InChIKey

InChIKey=HQYPIUMWODVUSU-UHFFFAOYSA-N

Formula

C27H38N8O3

Mass

522.654

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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 - Benzoic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Para-diazepine - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Imidolactam - Piperazine - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid hydrazide - Carboxamide group - Ether - Secondary amine - Carboxylic acid derivative - Azacycle - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen 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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