Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(SCC2=NC3=C(NC(N)=NC3=O)NCC2)C=C1

InChIKey

InChIKey=JZUIINAGKSXJPT-UHFFFAOYSA-N

Formula

C16H17N5O3S

Mass

359.4

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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 - P-sulfanylbenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Aryl thioether - Thiophenol ether - Benzoyl - Alkylarylthioether - Secondary aliphatic/aromatic amine - Pyrimidone - Aminopyrimidine - Para-diazepine - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Methyl ester - Ketimine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - 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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