Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N=C(CC1=CC(=CC=C1)C(F)(F)F)C(CC1=CC(=CC=C1)C(F)(F)F)=N2
InChIKey
InChIKey=SINWVXNPBUKUJC-UHFFFAOYSA-N
Formula
C22H15F6N5O
Mass
479.386
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
- Subclass Pterins and derivatives
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Class
Pteridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pterins and derivatives
Alternative Parents
Trifluoromethylbenzenes Pyrimidones Aminopyrimidines and derivatives Pyrazines Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin - Trifluoromethylbenzene - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
External Descriptors
Not available