Compound Identification
SMILES
NC1=C(F)C=NC(=O)N1.OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=BTCCYWBZVBMIGR-UHFFFAOYSA-N
Formula
C17H16F3N9O2
Mass
435.371
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
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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 Fluorobenzenes Aminopyrimidines and derivatives Hydropyrimidines Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Not available
Substituents
Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Aromatic alcohol - Alcohol - Primary amine - 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