Compound Identification
SMILES
FC1=CC=CC(C[NH+]2CC[NH+](CC3=NC4=C(C5=C(CCCC5)S4)C(=O)N3)CC2)=C1
InChIKey
InChIKey=ODEWAYCUDGLEFC-UHFFFAOYSA-P
Formula
C22H27FN4OS
Mass
414.54
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
Benzylamines Phenylmethylamines Aralkylamines Fluorobenzenes N-alkylpiperazines Pyrimidones Aryl fluorides Heteroaromatic compounds Thiophenes Quaternary ammonium salts Lactams Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organohalogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organofluoride - Organic cation - 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