Compound Identification
SMILES
CC1=CN2C(S1)=NC(=O)C(=CC1=CC=C(O1)C1=CC=C(Cl)C=C1)C2=N
InChIKey
InChIKey=XQAJDMAHHWABDG-UHFFFAOYSA-N
Formula
C18H12ClN3O2S
Mass
369.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Chlorobenzenes Aryl chlorides Imidolactams Hydropyrimidines Thiazolines Furans Heteroaromatic compounds N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Oxacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Heteroaromatic compound - Furan - Meta-thiazoline - Isothiourea - N-acylimine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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