Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@@H]1N=C(C2=C(SC(C)=C2C)N2C(C)=NN=C12)C1=CC=C(NC2=CN=C(OC)C=C2)C=C1

InChIKey

InChIKey=OJZWHYMGOICNEG-FQEVSTJZSA-N

Formula

C26H26N6O3S

Mass

502.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thieno-para-diazepine - Aniline or substituted anilines - Para-diazepine - Alkyl aryl ether - Aminopyridine - Primary aromatic amine - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiophene - Methyl ester - 1,2,4-triazole - Amino acid or derivatives - Ketimine - Carboxylic acid ester - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Secondary amine - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

External Descriptors

Not available

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