Compound Identification
SMILES
CC1(C)O[C@@H]2[C@H]3COC4=NC(=O)C(Br)=CN4[C@H](O3)[C@@H]2O1
InChIKey
InChIKey=HTMADGPUDUDSRC-FDDDBJFASA-N
Formula
C12H13BrN2O5
Mass
345.149
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
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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
Halopyrimidines
Alternative Parents
Pyrimidones Alkyl aryl ethers Ketals Aryl bromides Monosaccharides Vinylogous amides Oxolanes 1,3-dioxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organobromides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Ketal - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Monosaccharide - Meta-dioxolane - Heteroaromatic compound - Oxolane - Vinylogous amide - Acetal - Ether - Oxacycle - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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