Compound Identification
SMILES
NC1=C2C=C(CN3CCC(F)CC3)SC2=NC(=N1)C1=CC=CC=C1C#N
InChIKey
InChIKey=PSCRTJGQNSAVHU-UHFFFAOYSA-N
Formula
C19H18FN5S
Mass
367.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrimidines
Alternative Parents
Benzonitriles 2,3,5-trisubstituted thiophenes Aralkylamines Aminopyrimidines and derivatives Piperidines Imidolactams Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Benzonitrile - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl halide - Cyanide - Alkyl fluoride - Primary amine - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur 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