Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC1=CN(C=N1)C1=NC=C(C=N1)C1=CC=C(C=C1)C(N)=N

InChIKey

InChIKey=AXCHKTAPEDJRBF-UHFFFAOYSA-N

Formula

C18H18N6O2

Mass

350.382

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

5-phenylpyrimidine - Imidazolyl carboxylic acid derivative - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - 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

Previous Back Next