Compound Identification
SMILES
COC(=O)CCCN(C)C(=O)C1=NC=C(C=N1)C1=CC=C(C=C1)C(N)=N
InChIKey
InChIKey=QRTMFICACMOQLZ-UHFFFAOYSA-N
Formula
C18H21N5O3
Mass
355.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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
Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Fatty acid methyl esters Benzene and substituted derivatives Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Pyrimidine-2-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboximidamide - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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