Compound Identification
SMILES
CC(C)N1C(=O)C(Cl)=C(OCC2=C(F)C=C(F)C=C2)N=C1OCCNC(N)=O
InChIKey
InChIKey=DISCBTTXKOZWIO-UHFFFAOYSA-N
Formula
C17H19ClF2N4O4
Mass
416.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
-
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 Fluorobenzenes Aryl chlorides Aryl fluorides Hydropyrimidines Vinylogous esters Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Pyrimidone - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Vinylogous ester - Urea - Lactam - Azacycle - Ether - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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