Compound Identification
SMILES
CC1=C(CSCCNC2=NC=C(CC3=NSC=C3Br)C(=O)N2)N=CN1
InChIKey
InChIKey=VHQHEPHCTLFDEK-UHFFFAOYSA-N
Formula
C15H17BrN6OS2
Mass
441.37
Taxonomic Classification
Taxonomy Tree
-
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 Hydropyrimidines Aryl bromides Thiazoles Imidazoles Heteroaromatic compounds Lactams Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - Azole - Heteroaromatic compound - Imidazole - Thiazole - Lactam - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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