Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C2CN=C(C3=CC=CC=C3)C3=NC=NC=C3N12

InChIKey

InChIKey=CTGZVSHYXXLMQH-UHFFFAOYSA-N

Formula

C15H12N6

Mass

276.303

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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 - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Ketimine - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Imine - Hydrocarbon derivative - Organic nitrogen 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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