Compound Identification
SMILES
OC(=O)C1=CC=C(CCCCCSC2=NC(=O)C=C(N2)C2=CC=C(C=C2)N2CCOCC2)S1
InChIKey
InChIKey=YFWGCKAMJYRZDB-UHFFFAOYSA-N
Formula
C24H27N3O4S2
Mass
485.62
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
Phenylmorpholines Thiophene carboxylic acids Aniline and substituted anilines Dialkylarylamines 2,5-disubstituted thiophenes Pyrimidones Alkylarylthioethers Hydropyrimidines Vinylogous amides Heteroaromatic compounds Amino acids Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmorpholine - 4-phenylpyrimidine - Aryl thioether - Tertiary aliphatic/aromatic amine - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Pyrimidone - 2,5-disubstituted thiophene - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Morpholine - Oxazinane - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid - Amino acid or derivatives - Thioether - Azacycle - Carboxylic acid derivative - Oxacycle - Sulfenyl compound - Carboxylic acid - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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