Compound Identification
SMILES
NNC1=C2C(N(C(=S)N=C2NC(=S)N1)C1=CC(Cl)=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=QKJDKYILJPVXIR-UHFFFAOYSA-N
Formula
C18H15ClN6S2
Mass
414.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidinethiones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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
Chlorobenzenes 2-Thiopyrimidines Hydropyrimidines Aryl chlorides Thioureas Ketene acetals Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organochlorides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-thiopyrimidine - Thiopyrimidine - Chlorobenzene - Halobenzene - Pyrimidinethione - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Thiourea - Ketene acetal or derivatives - Amidine - Azacycle - Carboxylic acid amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Hydrazine derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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