Compound Identification
SMILES
COC(=O)C1=C(C)C2=C(NC3=C(OC4CCC(CC4)N(C)S(C)(=O)=O)C=C(F)C=C3)N=CN=C2S1
InChIKey
InChIKey=AYHUMKHLQDZPKH-UHFFFAOYSA-N
Formula
C23H27FN4O5S2
Mass
522.61
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 carboxylic acids and derivatives Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Organic sulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Methyl esters Amino acids and derivatives Secondary amines Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Halobenzene - Aminopyrimidine - Fluorobenzene - Benzenoid - Imidolactam - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic sulfonic acid amide - Organosulfonic acid amide - Heteroaromatic compound - Methyl ester - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Thiophene - Aminosulfonyl compound - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Organic oxide - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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