Compound Identification
SMILES
CCCN1C(=S)NC(C2=CC=C(C)C=C2)=C(C#N)C1=S
InChIKey
InChIKey=GDTODVRCZPDVRI-UHFFFAOYSA-N
Formula
C15H15N3S2
Mass
301.43
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
Toluenes Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Thiolactams Heteroaromatic compounds Thioureas Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 2-thiopyrimidine - Thiopyrimidine - Toluene - Pyrimidinethione - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Thiolactam - Thiourea - Carbonitrile - Azacycle - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - 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