Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(C)C[C@@H]1N([C@H]2N(C1=O)C1=CC=CC=C1[C@@]2(O)C[C@@H]1NC(=O)C2=CC=CC=C2N2C1NC1=CC=CC=C1C2=O)C(=O)CCC([O-])=O

InChIKey

InChIKey=JLKVMKCEBBKPCG-WHFKLAERSA-M

Formula

C35H34N5NaO7

Mass

659.675

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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 - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Quinazoline - Indole or derivatives - Secondary aliphatic/aromatic amine - Imidazolidinone - Benzenoid - Imidazolidine - Vinylogous amide - Tertiary alcohol - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Lactam - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Secondary amine - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic zwitterion - Alcohol - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organic sodium salt - Organooxygen compound - Organic oxygen compound - Organic salt - Carbonyl group - 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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