Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC2=NC=C3N(C)C(=O)C(CC#C)CN(C4CCCC4)C3=N2)C=CC(=C1)C(=O)N[C@@H]1CCCNC1

InChIKey

InChIKey=BIBGQICAYOIOHT-BPGUCPLFSA-N

Formula

C29H37N7O3

Mass

531.661

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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 - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - Para-diazepine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Piperidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Secondary aliphatic amine - Ether - Secondary amine - Acetylide - Azacycle - Carboxylic acid derivative - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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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