Compound Identification
SMILES
S=C1NC(C2=CC=CC=C2)C(=S)C(=N1)C1=CC=CC=C1
InChIKey
InChIKey=UUOJBJFKBBBKKH-UHFFFAOYSA-N
Formula
C16H12N2S2
Mass
296.41
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 Pyrimidinethiones
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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
Pyrimidinethiones
Alternative Parents
4-Thiopyrimidines Hydropyrimidines Benzene and substituted derivatives Thioketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Benzenoid - Thioketone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Thiocarbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinethiones. These are compounds containing a pyrimidine ring that bears a thioketone. 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