Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC(=O)N2CCC3=C(C2)C(=O)N=C(N3)C2=CC=C(C=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=QLZHBEKHQMCEDW-UHFFFAOYSA-N
Formula
C21H16F3N5O4
Mass
459.385
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridopyrimidines
Alternative Parents
N-phenylureas Trifluoromethylbenzenes Pyrimidinecarboxamides Nitrobenzenes Nitroaromatic compounds Pyrimidones Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Ureas Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic salts Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Trifluoromethylbenzene - Pyridopyrimidine - Nitrobenzene - Pyrimidinecarboxamide - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Urea - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic oxide - Alkyl halide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. 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