Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(C2=CC(OC)=C(OC)C(OC)=C2)=C2C(=O)N=C(N)N=C2N(C)N1

InChIKey

InChIKey=KMEJBUTUHDOVOT-UHFFFAOYSA-N

Formula

C19H21N5O6

Mass

415.406

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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 - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - 5,6-dihydropyrimidine - Pyrimidine - Imidolactam - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid amidrazone - N-acylimine - Carboxylic acid ester - Amidine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - 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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