Compound Identification
SMILES
COCCOC1=C(\C=C\C2=C(C(=O)N3C=CSC3=N2)C2=CC=C(OC(F)(F)F)C=C2)C=CC=C1OC
InChIKey
InChIKey=BVNPDMVUGABJKR-DHZHZOJOSA-N
Formula
C25H21F3N2O5S
Mass
518.51
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
Anisoles Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers Pyrimidones Heteroaromatic compounds Thiazoles Lactams Trihalomethanes Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Trihalomethane - Lactam - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Halomethane - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - 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