Compound Identification
SMILES
C[C@@H](NC(=O)C1=NC(=NC(=C1)C1=CC=C(C)C=C1)C1=CC=C(C)C=C1)C1=NC(C)=NO1
InChIKey
InChIKey=JJQSDBVMMWJUKF-MRXNPFEDSA-N
Formula
C24H23N5O2
Mass
413.481
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
Pyrimidinecarboxamides 2-heteroaryl carboxamides Toluenes Heteroaromatic compounds 1,2,4-oxadiazoles Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Toluene - Monocyclic benzene moiety - Benzenoid - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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