Compound Identification
SMILES
CC1=CN=C(N1)\N=C(/N)CCOCCC1=NC=CC(NC(N)=NCC(F)(F)F)=N1
InChIKey
InChIKey=CHMQRGRHUGKSAX-UHFFFAOYSA-N
Formula
C16H22F3N9O
Mass
413.409
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- 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
Pyrimidines and pyrimidine derivatives
Alternative Parents
Imidolactams Imidazoles Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboximidamides Carboxamidines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Guanidine - Amidine - Carboxylic acid amidine - Dialkyl ether - Ether - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
External Descriptors
Not available