Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(C#N)C(=O)N=C(N1)SCC(=O)NC1=NC(=CS1)C1=CC=CC=C1
InChIKey
InChIKey=JPKLHRNQSFLZDZ-UHFFFAOYSA-N
Formula
C23H17N5O3S2
Mass
475.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Anisoles Methoxybenzenes N-arylamides Phenoxy compounds 2,4-disubstituted thiazoles Alkylarylthioethers Alkyl aryl ethers Pyrimidones Hydropyrimidines Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Nitriles Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Hydropyrimidine - Heteroaromatic compound - Thiazole - Vinylogous amide - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - 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