Compound Identification
SMILES
COC(OC)C1=C(CC2=CC=C(Br)C=C2)C(=O)N=C(N)N1
InChIKey
InChIKey=NWWCUFXGTLOBTL-UHFFFAOYSA-N
Formula
C14H16BrN3O3
Mass
354.204
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 Aminopyrimidines and derivatives Hydropyrimidines Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Acetals Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Acetal - Azacycle - Organobromide - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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