Compound Identification
SMILES
CC1=CC=C(CNC(=O)CCCN2C(=S)NC3=C(C=C(Br)C=C3)C2=O)C=C1
InChIKey
InChIKey=YRACBYMHWLWKAB-UHFFFAOYSA-N
Formula
C20H20BrN3O2S
Mass
446.36
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
2-Thiopyrimidines Toluenes Pyrimidones Pyrimidinethiones Aryl bromides N-acyl amines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Thioureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Pyrimidinethione - 2-thiopyrimidine - Pyrimidone - Thiopyrimidine - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyrimidine - Benzenoid - Fatty acyl - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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