Compound Identification
SMILES
CC1=CC(C)=C(N2C(=S)NC3=CC=CC=C3C2=O)C(Br)=C1
InChIKey
InChIKey=XHBBABPYBUXPGN-UHFFFAOYSA-N
Formula
C16H13BrN2OS
Mass
361.26
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
m-Xylenes 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Bromobenzenes Aryl bromides Vinylogous amides Heteroaromatic compounds Lactams Thioureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Xylene - M-xylene - Halobenzene - Pyrimidinethione - Pyrimidone - Bromobenzene - 2-thiopyrimidine - Thiopyrimidine - Benzenoid - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Vinylogous amide - Heteroaromatic compound - Thiourea - Lactam - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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