Compound Identification
SMILES
ClCCOC(=O)NC1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1
InChIKey
InChIKey=VKZUQVWQCBSVAE-UHFFFAOYSA-N
Formula
C20H15ClN4O3S
Mass
426.88
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Phenylcarbamic acid esters Pyrazolo[1,5-a]pyrimidines Thiophene carboxylic acids and derivatives Aryl ketones Vinylogous amides Pyrazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenylcarbamic acid ester - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Thiophene carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Thiophene - Carbamic acid ester - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Organic oxide - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl chloride - Organic nitrogen compound - 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