Compound Identification
SMILES
BrC1=CC2=C(NC(=S)N(CCCCCC(=O)N3CCC(=CC3)C3=CC=CC=C3)C2=O)C=C1
InChIKey
InChIKey=KEAGJXQNWQUAQZ-UHFFFAOYSA-N
Formula
C25H26BrN3O2S
Mass
512.47
Taxonomic Classification
Taxonomy Tree
-
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
2-Thiopyrimidines Pyrimidones Pyrimidinethiones Aryl bromides Benzene and substituted derivatives Hydropyridines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Pyrimidinethione - 2-thiopyrimidine - Pyrimidone - Thiopyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Thiourea - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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