Compound Identification
SMILES
COC1=C(C=C(C=C1)C1=NC(NC2=CC=CC=C2)=NC=C1)C(O)=O
InChIKey
InChIKey=GCEFLBXTZSTQGO-UHFFFAOYSA-N
Formula
C18H15N3O3
Mass
321.336
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
O-methoxybenzoic acids and derivatives Benzoic acids Aniline and substituted anilines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Amino acids Carboxylic acids Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - O-methoxybenzoic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Anisole - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available