Compound Identification
SMILES
COC1=CC=C(C=C1)C1SCC(=O)N1NCC1=NC2=C(C=C(Br)C=C2)C(=O)N1C1=NC(=CS1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=CJWLJFKGIWEXLB-UHFFFAOYSA-N
Formula
C28H21BrClN5O3S2
Mass
654.98
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Aryl bromides Aryl chlorides Thiazolidines Heteroaromatic compounds Lactams Carboxylic acid hydrazides Azacyclic compounds Dialkylthioethers Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Pyrimidone - Halobenzene - Chlorobenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyrimidine - Benzenoid - Aryl bromide - Heteroaromatic compound - Azole - Thiazole - Thiazolidine - Lactam - Carboxylic acid hydrazide - Carboxylic acid derivative - Thioether - Ether - Dialkylthioether - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organochloride - Organonitrogen compound - Organooxygen 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