Compound Identification
SMILES
CCC1(C(=O)NC(=S)N=C1N)C1=CCCCC1
InChIKey
InChIKey=QBZQIAQCFWBEAJ-UHFFFAOYSA-N
Formula
C12H17N3OS
Mass
251.35
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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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
Pyrimidinethiones Hydropyrimidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Pyrimidinethione - Pyrimidone - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic 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