Compound Identification
SMILES
CCC1=NC(=CC(=O)N1CCOC1=CC=C(\C=C2/SC(=O)NC2=O)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=MCYUZEPDNRVSHG-ZHZULCJRSA-N
Formula
C24H21N3O4S
Mass
447.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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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
Phenoxy compounds Phenol ethers Thiazolidinediones Pyrimidones Alkyl aryl ethers Hydropyrimidines Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Dicarboximide - Heteroaromatic compound - Thiazolidine - Lactam - Thiocarbamic acid derivative - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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