Compound Identification
SMILES
BrC1=CC=C(O1)C=C1C(=O)N=C2SC(CCC3CCCCC3)=NN2C1=N
InChIKey
InChIKey=SEUQEJOCTJXBPB-UHFFFAOYSA-N
Formula
C18H19BrN4O2S
Mass
435.34
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
Aryl bromides Hydropyrimidines Imidolactams Thiadiazolines Furans Heteroaromatic compounds N-acylimines Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Furan - Thiadiazoline - Heteroaromatic compound - N-acylimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Amidine - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen 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