Compound Identification
SMILES
CC1=CC(NCCNC2=NC(=S)NC(C)=C2)=NC(=S)N1
InChIKey
InChIKey=MTMDBRRMGPJERA-UHFFFAOYSA-N
Formula
C12H16N6S2
Mass
308.42
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
Aminopyrimidines and derivatives 2-Thiopyrimidines Imidolactams Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Aminopyrimidine - Imidolactam - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - 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