Compound Identification
SMILES
CC1=C(SC2=C1C(=O)N(CC1=CC(F)=CC=C1)C=N2)C(=O)NCCC[NH+]1CCOCC1
InChIKey
InChIKey=CQWZRNWHPIGFNE-UHFFFAOYSA-O
Formula
C22H26FN4O3S
Mass
445.53
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
Thiophene carboxamides 2-heteroaryl carboxamides Pyrimidones Fluorobenzenes Aryl fluorides Morpholines Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Pyrimidone - Halobenzene - Fluorobenzene - Morpholine - Benzenoid - Oxazinane - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Thiophene - Quaternary ammonium salt - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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