Structure Information
Structure

Compound Identification

SMILES

CN1CCC(CC1)NC(=O)C1=CC(O)=C(NC2=NC=C3N(C)C(=O)CCN(C4CCCC4)C3=N2)C=C1

InChIKey

InChIKey=KTSXTVSPSIPDNR-UHFFFAOYSA-N

Formula

C26H35N7O3

Mass

493.612

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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 - Benzamide - Benzoic acid or derivatives - Aminophenol - O-aminophenol - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Para-diazepine - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Imidolactam - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Secondary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - 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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