Compound Identification
SMILES
Cl.Cl.Cl.CC1=C(CSCCNC2=NC=C(CC3=CN=CC=C3)C(=O)N2)N=CN1
InChIKey
InChIKey=ROQJWJJTTQDQJY-UHFFFAOYSA-N
Formula
C17H23Cl3N6OS
Mass
465.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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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
Pyrimidones
Alternative Parents
Aminopyrimidines and derivatives Pyridines and derivatives Hydropyrimidines Imidazoles Heteroaromatic compounds Lactams Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyridine - Azole - Imidazole - Heteroaromatic compound - Lactam - Dialkylthioether - Sulfenyl compound - Thioether - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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