Compound Identification
SMILES
COC1=C(C2=NC(SC3C=C(ONC3=O)C3=CC=C(C=C3)C3=CC=CC=C3)=NC(=C2)C2=CC=CC=C2)C2=CC=CC=C2C=C1
InChIKey
InChIKey=OVPHYORHBWZHBT-UHFFFAOYSA-N
Formula
C37H27N3O3S
Mass
593.7
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
Biphenyls and derivatives Naphthalenes Anisoles Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenyl - 4-phenylpyrimidine - Naphthalene - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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