Compound Identification
SMILES
C[C@@H]1[C@@H](C2=CC=CC=C2)C2([C@H](CC1=O)C1=CC=C(C)C=C1)C(=O)NC(=S)N=C2N
InChIKey
InChIKey=KYALTEHBGMPQCJ-QXTQTFHZSA-N
Formula
C23H23N3O2S
Mass
405.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Toluenes Pyrimidinethiones Hydropyrimidines Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinethione - Pyrimidone - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Benzenoid - Ketone - Cyclic ketone - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic 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