Compound Identification
SMILES
CC1(C)O[C@@H]2[C@H]3CN=C4NC(=O)C(Br)=CN4[C@H](O3)[C@@H]2O1
InChIKey
InChIKey=KKPAMCOVZAULQV-FDDDBJFASA-N
Formula
C12H14BrN3O4
Mass
344.165
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
- Class Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Acetals
Direct Parent
Ketals
Alternative Parents
Hydropyrimidines Monosaccharides Vinylogous amides 1,3-dioxolanes Oxolanes Guanidines Vinyl bromides Azacyclic compounds Bromoalkenes Carboximidamides Carboxylic acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Enamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organobromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ketal - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Monosaccharide - Meta-dioxolane - Oxolane - Vinylogous amide - Guanidine - Carboxylic acid derivative - Enamine - Oxacycle - Azacycle - Vinyl bromide - Vinyl halide - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Haloalkene - Organoheterocyclic compound - Bromoalkene - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
External Descriptors
Not available