Compound Identification
SMILES
O=C(NC1CC1)NC1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1
InChIKey
InChIKey=LRBNFWWCCPYNIY-UHFFFAOYSA-N
Formula
C21H17N5O2S
Mass
403.46
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
N-phenylureas Pyrazolo[1,5-a]pyrimidines Thiophene carboxylic acids and derivatives Aryl ketones Vinylogous amides Pyrazoles Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - N-phenylurea - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Thiophene carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Vinylogous amide - Urea - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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