Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C(=C1)C1=NN(CC(=O)NC2=NC(SC)=NC3=CC=CC=C23)C(=O)O1)[N+]([O-])=O

InChIKey

InChIKey=JMDILNZAYSDEPG-UHFFFAOYSA-N

Formula

C21H18N6O7S

Mass

498.47

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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

Nitrophenyl ethers Dimethoxybenzenes Methoxyanilines Anisoles N-arylamides Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Imidolactams Pyrimidines and pyrimidine derivatives 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrophenyl ether - Quinazolinamine - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Methoxyaniline - N-arylamide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Imidolactam - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - 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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