Compound Identification
SMILES
O=C1N=C(NC(C2=CC=CC=C2)=C1C#N)N1NC(=S)N=C1C1=CC=CC=C1
InChIKey
InChIKey=OIJBBIWQLGMXTI-UHFFFAOYSA-N
Formula
C19H12N6OS
Mass
372.41
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
Phenyl-1,2,4-triazoles Pyrimidones Hydropyrimidines Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Nitriles Azacyclic compounds Organosulfur compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenyltriazole - Phenyl-1,2,4-triazole - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Vinylogous amide - Nitrile - Azacycle - Carbonitrile - Organic oxide - Cyanide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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