Structure Information
Structure

Compound Identification

SMILES

CC(=O)NNC1=NC(C)=C2C(NC3=CC=CC=C3NC2=O)=N1

InChIKey

InChIKey=GDJADQQMDJJGBI-UHFFFAOYSA-N

Formula

C14H14N6O2

Mass

298.306

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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 - Para-diazepine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Acetamide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Lactam - Secondary amine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - 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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