Structure Information
Structure

Compound Identification

SMILES

CC(C)C[C@@H]1NC2N(C1=O)C1=CC=CC=C1C2(O)C[C@@H]1NC(=O)C2=CC=CC=C2N2C(=O)C3=CC=CC=C3N=C12

InChIKey

InChIKey=MGMRIOLWEROPJY-FEMCMSFOSA-N

Formula

C31H29N5O4

Mass

535.604

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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 - Diazanaphthalene - Alpha-amino acid or derivatives - Quinazoline - Indole or derivatives - Pyrimidone - Imidazolidinone - Pyrimidine - Benzenoid - Imidazolidine - Heteroaromatic compound - Vinylogous amide - Tertiary alcohol - Tertiary carboxylic acid amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - 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

CHEBI:2880 : pyrimidodiazepine

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