Structure Information
Structure

Compound Identification

SMILES

CCN1CCN(CCCNC(=O)CCCN2C(=S)NC3=CC4=C(OCO4)C=C3C2=O)CC1

InChIKey

InChIKey=APBFQGIPWZKJET-UHFFFAOYSA-N

Formula

C22H31N5O4S

Mass

461.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Not available

Direct Parent

Quinazolines

Alternative Parents

Benzodioxoles 2-Thiopyrimidines N-alkylpiperazines Pyrimidinethiones Pyrimidones N-acyl amines Benzenoids Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Lactams Secondary carboxylic acid amides Thioureas Trialkylamines Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Quinazoline - Benzodioxole - 2-thiopyrimidine - Pyrimidinethione - Pyrimidone - Thiopyrimidine - N-alkylpiperazine - 1,4-diazinane - Fatty amide - N-acyl-amine - Piperazine - Pyrimidine - Benzenoid - Fatty acyl - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.

External Descriptors

Not available

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