Compound Identification
SMILES
CN1C(=O)N(CC2=CN=C(NC3=CC4=C(OCCS4(=O)=O)C=C3)N=C12)C1=C(F)C=CC=C1Br
InChIKey
InChIKey=LAQFIKJZGRSSLI-UHFFFAOYSA-N
Formula
C21H17BrFN5O4S
Mass
534.36
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
Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Bromobenzenes Oxathiins Aryl bromides Aryl fluorides Imidolactams Benzoxathiins Sulfones Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Amines Organic oxides Organobromides Organofluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-benzooxathiin - 1,4-oxathiin - Benzenoid - Imidolactam - Sulfone - Heteroaromatic compound - Urea - Ether - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organofluoride - Organonitrogen 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