Compound Identification
SMILES
COCCN1C(=O)N[C@@H](C2=CC=C(Br)C=C2)C(C(C)=O)=C1C
InChIKey
InChIKey=ZZPZLNDFRJTYHF-HNNXBMFYSA-N
Formula
C16H19BrN2O3
Mass
367.243
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
-
Class
Diazines
-
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
Bromobenzenes Hydropyrimidines Aryl bromides Vinylogous amides Ureas Ketones Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Vinylogous amide - Urea - Ketone - Dialkyl ether - Ether - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic 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