Compound Identification
SMILES
COCCN1CCC2(CC1)OC1=C(O2)C=C(NC2=NC=C3CN(C(=O)N(C)C3=N2)C2=C(F)C=CC=C2Br)C=C1
InChIKey
InChIKey=MNKJMIISFLAVEN-UHFFFAOYSA-N
Formula
C27H28BrFN6O4
Mass
599.461
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Pyrimidones Aminopyrimidines and derivatives Ketals Bromobenzenes Fluorobenzenes Piperidines Aryl bromides Aryl fluorides Imidolactams Heteroaromatic compounds Ureas Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aminopyrimidine - Bromobenzene - Ketal - Fluorobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Acetal - Dialkyl ether - Ether - Amine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available