Compound Identification
SMILES
OC(=O)CC1=NN(CC2=NC3=CC=CC=C3S2)C(=O)C2=C1C=C(Br)C=C2
InChIKey
InChIKey=BVDGRMGFKFZCLQ-UHFFFAOYSA-N
Formula
C18H12BrN3O3S
Mass
430.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
-
Level 5
Phthalazines
- Level 6 Phthalazinones
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Level 5
Phthalazines
-
Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Phthalazines
Direct Parent
Phthalazinones
Alternative Parents
Benzothiazoles Pyridazinones Benzenoids Aryl bromides Thiazoles Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalazinone - 1,3-benzothiazole - Pyridazinone - Aryl bromide - Aryl halide - Benzenoid - Pyridazine - Azole - Heteroaromatic compound - Thiazole - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
External Descriptors
Not available