Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2C(NC3=CC(=CC=C3)[N+]([O-])=O)=NC(=NC2=C1)C1=CC=CS1

InChIKey

InChIKey=KFQRHWQXZWQVRU-UHFFFAOYSA-N

Formula

C20H16N4O4S

Mass

408.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Quinazolines

Direct Parent

Quinazolinamines

Alternative Parents

Nitrobenzenes Aniline and substituted anilines Anisoles Nitroaromatic compounds Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Quinazolinamine - Nitrobenzene - Nitroaromatic compound - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - C-nitro compound - Organic nitro compound - Ether - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.

External Descriptors

Not available

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