Compound Identification
SMILES
CCCC1=CC(OCCN)=CC(=C1)C1=CC(NC2=CC=C(C=C2)C(N)=O)=NC2=NC=NN12
InChIKey
InChIKey=XWJNSXZTQXCUIR-UHFFFAOYSA-N
Formula
C23H25N7O2
Mass
431.5
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
Triazolopyrimidines Phenylpropanes Benzamides Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Triazoles Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Monoalkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzamide - Benzoic acid or derivatives - Phenylpropane - Triazolopyrimidine - Phenoxy compound - Aniline or substituted anilines - Benzoyl - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Carboxamide group - Primary carboxylic acid amide - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic 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