Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C2NC(=O)N=C3NC4=CC=CC=C4NC(C4=CC=CC=C4)=C23)=C(OC)C=C1

InChIKey

InChIKey=FXKMKRMBAGCSGL-UHFFFAOYSA-N

Formula

C25H22N4O3

Mass

426.476

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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 - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Para-diazepine - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Azacycle - Ether - Enamine - Carboxylic acid amidine - Organic 1,3-dipolar compound - Amidine - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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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