Compound Identification
SMILES
NC1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1
InChIKey
InChIKey=BANZONFZSLNTGG-UHFFFAOYSA-N
Formula
C17H12N4OS
Mass
320.37
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
Pyrazolo[1,5-a]pyrimidines Thiophene carboxylic acids and derivatives Aryl ketones Aniline and substituted anilines Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Thiophene carboxylic acid or derivatives - Aryl ketone - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Thiophene - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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