Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.C[N+]1(C)CCC(CC1)N1C=C2C(CCC3=C2SC2=NC=NC(NC4=CC(Cl)=C(OCC5=CC(F)=CC=C5)C=C4)=C32)=N1
InChIKey
InChIKey=DOXMYYVBJMCXOQ-UHFFFAOYSA-M
Formula
C33H31ClF4N6O3S
Mass
703.15
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
Aniline and substituted anilines Phenoxy compounds Phenol ethers Chlorobenzenes Fluorobenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Aryl fluorides Aryl chlorides Piperidines Tetraalkylammonium salts Thiophenes Heteroaromatic compounds Pyrazoles Alpha-halocarboxylic acids Carboxylic acid salts Secondary amines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Alkyl fluorides Organic oxides Organic zwitterions Organofluorides Carbonyl compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Not available
Substituents
Thienopyrimidine - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Chlorobenzene - Imidolactam - Benzenoid - Piperidine - Aryl chloride - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tetraalkylammonium salt - Azole - Heteroaromatic compound - Thiophene - Quaternary ammonium salt - Pyrazole - Carboxylic acid salt - Monocarboxylic acid or derivatives - Secondary amine - Carboxylic acid derivative - Ether - Azacycle - Carboxylic acid - Organic oxygen compound - Organic zwitterion - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - 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