Compound Identification
SMILES
OC[C@]1(O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O)C#C
InChIKey
InChIKey=MTEFHMSUCAQLCL-VAOFZXAKSA-N
Formula
C11H11IN2O5
Mass
378.122
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 Ynones Aryl iodides Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Acetylides Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organoiodides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Pyrimidone - Aryl halide - Aryl iodide - Hydropyrimidine - Ynone - Tetrahydrofuran - Heteroaromatic compound - Vinylogous amide - Lactam - Secondary alcohol - Urea - Acetylide - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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