Compound Identification
SMILES
CCOC(=O)C(=N/NC1=CC=C(C=C1)N1C(C)=NC2=C(C=C(Br)C=C2)C1=O)\C(C)=O
InChIKey
InChIKey=VLMNOKHRICMBLE-PLRJNAJWSA-N
Formula
C21H19BrN4O4
Mass
471.311
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
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
Phenylhydrazines Pyrimidones Fatty acid esters Beta-keto acids and derivatives Aryl bromides Heteroaromatic compounds Lactams Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Phenylhydrazine - Beta-keto acid - Fatty acid ester - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrimidine - Keto acid - Heteroaromatic compound - Carboxylic acid ester - Ketone - Lactam - Monocarboxylic acid or derivatives - Hydrazone - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen 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