Compound Identification
SMILES
OC1=CC=C(CC2=NC3(NC(CC4=CC=CC=C4)=CN3NC2=O)C2=CC=C(O)C=C2)C=C1
InChIKey
InChIKey=GAFQYICIAZDNCP-UHFFFAOYSA-N
Formula
C25H22N4O3
Mass
426.476
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass 1-hydroxy-2-unsubstituted benzenoids
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Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
1-hydroxy-2-unsubstituted benzenoids
Intermediate Tree Nodes
Not available
Direct Parent
1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
1,2,4-triazines Benzene and substituted derivatives Imidazolines Orthocarboxylic acid derivatives Ortho amides Amino acids and derivatives Ketimines Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Triazine - 1,2,4-triazine - 4-imidazoline - Amino acid or derivatives - Carboxylic acid hydrazide - Ketimine - Ortho amide - Orthocarboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Azacycle - Secondary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Hydrocarbon derivative - Imine - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
External Descriptors
Not available