Compound Identification
SMILES
CC1=CC=C(C=C1)C1=NN2C(S1)=NC(=O)C(=CC1=CC=NC=C1)C2=N
InChIKey
InChIKey=NLZKIZMKWVYJHS-UHFFFAOYSA-N
Formula
C18H13N5OS
Mass
347.4
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
Toluenes Pyridines and derivatives Imidolactams Hydropyrimidines Thiadiazolines Heteroaromatic compounds N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidone - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyridine - Benzenoid - Imidolactam - Thiadiazoline - Heteroaromatic compound - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Amidine - Organic 1,3-dipolar compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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