Compound Identification
SMILES
OC1COC(O)(CNN2C(=O)C3=C(C=CC(Br)=C3)N=C2C2=CC=CC=C2Cl)C(O)C1O
InChIKey
InChIKey=BZOSWCMFYNRKAC-UHFFFAOYSA-N
Formula
C20H19BrClN3O6
Mass
512.74
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
Pyrimidones Chlorobenzenes Oxanes Aryl bromides Aryl chlorides Monosaccharides Heteroaromatic compounds Secondary alcohols Hemiacetals Lactams Polyols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Chlorobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Oxane - Pyrimidine - Benzenoid - Heteroaromatic compound - Secondary alcohol - Hemiacetal - Lactam - Polyol - Oxacycle - Azacycle - Hydrocarbon derivative - Organohalogen compound - Alcohol - Organobromide - Organochloride - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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