Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)O[C@H]1C[C@@H](O[C@@H]1CN=[N+]=[N-])N1C(=O)NC(=O)C2=CC=CC=C12
InChIKey
InChIKey=XXZWXLLDPFIMAB-RCCFBDPRSA-N
Formula
C21H19N5O5
Mass
421.413
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Benzoic acid esters Benzoyl derivatives Toluenes Pyrimidones Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Azo compounds Azo imides Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Organic salts Organic zwitterions Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Quinazoline - Benzoic acid or derivatives - Benzoyl - Pyrimidone - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Oxolane - Heteroaromatic compound - Vinylogous amide - Azo imide - Azo compound - Urea - Carboxylic acid ester - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - 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