Compound Identification
SMILES
FC1=CN=C(N=C1)C1CCN(CC2=CN=C(N2)C2=CC3=C(OCC3)C=C2)CC1
InChIKey
InChIKey=ZPMZVJPSNBOAEU-UHFFFAOYSA-N
Formula
C21H22FN5O
Mass
379.439
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
Halopyrimidines Aralkylamines Alkyl aryl ethers Piperidines Benzenoids Aryl fluorides Imidazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - Alkyl aryl ether - Halopyrimidine - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Pyrimidine - Piperidine - Heteroaromatic compound - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Ether - Azacycle - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available