Compound Identification
SMILES
OCC1CN(CC(CC#N)N2C=C(C=N2)C2=C3C=CNC3=NC=N2)CCN1C(=O)C1=C(F)C=C(C=C1)C#N
InChIKey
InChIKey=IQCRKENSPYVHCE-UHFFFAOYSA-N
Formula
C26H24FN9O2
Mass
513.537
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Pyrrolo[2,3-d]pyrimidines Benzonitriles Benzoyl derivatives Fluorobenzenes N-alkylpiperazines Aryl fluorides Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Pyrroles Tertiary carboxylic acid amides Vinylogous halides 1,3-aminoalcohols Pyrazoles Amino acids and derivatives Trialkylamines Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - Benzonitrile - Benzoyl - Fluorobenzene - N-alkylpiperazine - Halobenzene - 1,4-diazinane - Aryl fluoride - Pyrimidine - Aryl halide - Piperazine - Heteroaromatic compound - Vinylogous halide - 1,3-aminoalcohol - Tertiary carboxylic acid amide - Azole - Pyrrole - Pyrazole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonitrile - Organic oxide - Organohalogen compound - Organofluoride - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Cyanide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available