Compound Identification
SMILES
CCOC(=O)C1=C2C=C(N=C(NC3=CC=CC=C3)N2N=C1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=MJVXZFZMCCARQZ-UHFFFAOYSA-N
Formula
C28H23N5O4
Mass
493.523
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
Phenylpyrazoles Pyrazolopyrimidines Nitrobenzenes Pyrazole carboxylic acids and derivatives Aniline and substituted anilines Nitroaromatic compounds Toluenes Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenylpyrazole - Nitrobenzene - Pyrazolopyrimidine - Nitroaromatic compound - Pyrazole-4-carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Pyrazole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic salt - Organic oxide - Organic oxygen compound - 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