Compound Identification
SMILES
CC(O)=O.NC1=NC2=C(C=C(CNC3=CC4=C(C=C3)C=C(Cl)C=C4)C=C2)C(N)=N1
InChIKey
InChIKey=YBEPRSXIUGDRFH-UHFFFAOYSA-N
Formula
C21H20ClN5O2
Mass
409.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
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Level 5
Quinazolines
- Level 6 Quinazolinamines
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Level 5
Quinazolines
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Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Quinazolinamines
Alternative Parents
Chloronaphthalenes Secondary alkylarylamines Aminopyrimidines and derivatives Aralkylamines Aryl chlorides Imidolactams Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds Primary amines
Molecular Framework
Not available
Substituents
Chloronaphthalene - Quinazolinamine - Naphthalene - Aminopyrimidine - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors
Not available